SCHEMBL662136

SCHEMBL662136

CCCc1ccc(CC)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MITF O75030 1/20 0.42
HPGD P15428 1/20 0.42
KLF5 Q13887 1/20 0.42
PKM P14618 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NFKB1 P19838 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16389875 0.89 HRH3 (0.47) HRH3CYP1A2CYP2D6SMN1; SMN2NPC1
SCHEMBL2619347 0.88 NFKB1 (0.54) HRH3CYP1A2CYP2D6SMN1; SMN2NPC1
Ammonia Solution, Strong SCHEMBL7978427 0.86 NFKB1 (0.53) HRH3CYP1A2CYP2D6SMN1; SMN2NPC1
SCHEMBL31190152 0.86 RAB9A (0.51) HRH3CYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL11575820 0.84 RAB9A (0.54) CYP1A2SMN1; SMN2NPC1RAB9ATP53
SCHEMBL10462081 0.84 MCHR1 (0.44) HRH3CYP1A2CYP2D6SMN1; SMN2NPC1
SCHEMBL30398570 0.84 HRH3 (0.55) HRH3CYP1A2CYP2D6SMN1; SMN2NPC1
SCHEMBL487617 0.84 HRH3 (0.55) HRH3CYP1A2CYP2D6SMN1; SMN2NPC1
SCHEMBL16935090 0.83 TAAR1 (0.54) HRH3CYP1A2CYP2D6SMN1; SMN2KDM4E
SCHEMBL18397243 0.83 HRH3 (0.44) HRH3CYP1A2CYP2D6SMN1; SMN2NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503465-B2 Process for preparing [3-chloro-2-[3-[2-[1-(2-chloroacetyl)-4-piperidyl]thiazol-4-yl]-4,5-dihydroisoxazol-5-yl]phenyl] methanesulfonate BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
EP-4077321-B1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE BAYER AG (DE) 2025-06-25 EP disclosed
CN-114829360-B Process for preparing Fluoxapiprolin intermediates 拜耳公司 2025-03-07 CN disclosed
US-20230348462-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2023-11-02 US disclosed
US-11765968-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-19 US disclosed
US-11765968-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-09-19 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20230031599-A1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE BAYER AKTIENGESELLSCHAFT (DE) 2023-02-02 US disclosed
EP-4077321-A1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE Bayer Aktiengesellschaft (DE) 2022-10-26 EP disclosed
CN-114829360-A Process for the preparation of [ 3-chloro-2- [3- [2- [1- (2-chloroacetyl) -4-piperidinyl ] thiazol-4-yl ] -4, 5-dihydroisoxazol-5-yl ] phenyl ] methanesulfonate 拜耳公司 2022-07-29 CN disclosed
US-20130274244-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. 2013-10-17 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-01 US disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 WO disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed
US-7164016-B2 Macrocyclic metal complexes and their use for the production of conjugates with biomolecules SCHERING AG (DE) 2007-01-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120094997-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC5 HRH3 38/4885CYP1A2 1353/4885CYP2D6 3069/4885
US-20130274244-A1 SUBSTITUTED N-(1H-INDAZOL-4-YL)IMIDAZO[1,2-]PYRIDINE-3-CARBOXAMIDE COMPOUNDS AS TYPE III RECEPTOR TYROSINE KINASE INHIBITORS MUSK, FGFR1, FRK HRH3 295/4885CYP1A2 2049/4885CYP2D6 2406/4885
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HRH3 170/4885CYP1A2 2003/4885CYP2D6 2509/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP HRH3 3154/4885CYP1A2 1111/4885CYP2D6 1271/4885
US-20230348462-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS ATM, CHEK2, CHEK1 HRH3 2354/4885CYP1A2 4119/4885CYP2D6 4472/4885
US-12503465-B2 Process for preparing [3-chloro-2-[3-[2-[1-(2-chloroacetyl)-4-piperidyl]thiazol-4-yl]-4,5-dihydroisoxazol-5-yl]phenyl] methanesulfonate CTPS2, DCPS, DHPS HRH3 3838/4885CYP1A2 451/4885CYP2D6 34/4885
US-20120053201-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 HRH3 28/4885CYP1A2 1215/4885CYP2D6 2312/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 HRH3 36/4885CYP1A2 1772/4885CYP2D6 3113/4885
US-20230031599-A1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE CTPS2, DCPS, DHPS HRH3 3838/4885CYP1A2 451/4885CYP2D6 34/4885
US-11765968-B2 Organic electroluminescent materials and devices TPR, TPO, DDT HRH3 2490/4885CYP1A2 4306/4885CYP2D6 3468/4885
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HRH3 36/4885CYP1A2 1836/4885CYP2D6 2853/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD HRH3 819/4885CYP1A2 669/4885CYP2D6 419/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.