SCHEMBL5538673

SCHEMBL5538673

CC(C)Cc1ccc2ocnc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
DYRK1A Q13627 1/20 0.41
CTNNB1 P35222 4/20 0.40
WNT3A P56704 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
TRPM5 Q9NZQ8 1/20 0.38
HTR1B P28222 3/20 0.36
NTRK1 P04629 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR3 P32745 1/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL5541774 0.87 MEN1 (0.53) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL8189048 0.86 TAS1R3 (0.42) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL243861 0.81 MEN1 (0.57) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL2620971 0.80 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL20621823 0.79 MEN1 (0.51) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL506532 0.77 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL2760570 0.77 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL3815218 0.77 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL2358986 0.77 MEN1 (0.65) MEN1ALDH1A1GAAKMT2ADYRK1A
SCHEMBL30917349 0.77 MEN1 (0.60) MEN1ALDH1A1GAAKMT2ADYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20230219946-A1 PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-07-13 US disclosed
US-20230146129-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-05-11 US disclosed
US-20230025130-A1 METHODS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2023-01-26 US disclosed
US-20220403383-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2022-12-22 US disclosed
US-20220204473-A1 COMPOUND AS IRAK INHIBITOR WUHAN CREATERNA SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2022-06-30 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-11326165-B1 Methods and compositions for modulating splicing SKYHAWK THERAPEUTICS, INC. (US) 2022-05-10 US disclosed
US-11214538-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-01-04 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
WO-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (14 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 MEN1 703/4885ALDH1A1 3954/4885GAA 504/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB MEN1 4080/4885ALDH1A1 550/4885GAA 910/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MEN1 3295/4885ALDH1A1 355/4885GAA 4165/4885
US-11326165-B1 Methods and compositions for modulating splicing RBM17, SF3B1, SNRPA1 MEN1 3388/4885ALDH1A1 4181/4885GAA 2861/4885
US-11214538-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 MEN1 2725/4885ALDH1A1 2205/4885GAA 782/4885
US-20230025130-A1 METHODS FOR MODULATING SPLICING RBM17, SNRPE, SNRPB2 MEN1 3788/4885ALDH1A1 3474/4885GAA 2422/4885
US-20230146129-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS MEN1 1546/4885ALDH1A1 223/4885GAA 1924/4885
US-20220403383-A1 METHODS AND COMPOSITIONS FOR MODULATING SPLICING RBM17, SF3B1, SNRPA1 MEN1 3388/4885ALDH1A1 4181/4885GAA 2861/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4705/4885ALDH1A1 1786/4885GAA 347/4885
US-20220204473-A1 COMPOUND AS IRAK INHIBITOR IRAK1, IRAK3, IRAK2 MEN1 2889/4885ALDH1A1 2425/4885GAA 2950/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 MEN1 3555/4885ALDH1A1 86/4885GAA 3757/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 MEN1 2335/4885ALDH1A1 601/4885GAA 122/4885
US-20230219946-A1 PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PTPN5, PTPN1, JAK2 MEN1 1449/4885ALDH1A1 1181/4885GAA 688/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 MEN1 3090/4885ALDH1A1 1806/4885GAA 352/4885

“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.