SCHEMBL210964

SCHEMBL210964

CC(C)c1nc(CCl)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 2/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
ALDH1A1 P00352 7/20 0.41
TDP1 Q9NUW8 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.36
TLR7 Q9NYK1 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36

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
Hydrochloric Acid SCHEMBL4943059 0.98 SLC6A3 (0.45) SLC6A3SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL854723 0.84 SMN1; SMN2 (0.45) SLC6A3SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL2819185 0.81 SLC6A3 (0.47) SLC6A3KMT2ARAB9ANPC1POLB
SCHEMBL10163704 0.79 SLC6A3 (0.46) SLC6A3KMT2ANPC1DRD2HTR2A
SCHEMBL7226659 0.79 SLC6A3 (0.50) SLC6A3SMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL16603147 0.79 SLC6A3 (0.46) SLC6A3KMT2ANPC1DRD2HTR2A
SCHEMBL348008 0.79 SLC6A3 (0.46) SLC6A3KMT2ANPC1DRD2HTR2A
SCHEMBL129911 0.79 SLC6A3 (0.46) SLC6A3KMT2ANPC1DRD2HTR2A
SCHEMBL2439238 0.79 SLC6A3 (0.46) SLC6A3KMT2ANPC1DRD2HTR2A
SCHEMBL7180800 0.79 SLC6A3 (0.46) SLC6A3KMT2ANPC1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 CN claimed
CN-109054648-A Serosity combination for chemically mechanical polishing LTCAM有限公司 2018-12-21 CN claimed
CN-104419326-A Slurry composition for chemical mechanical polishing COWON INNOTECH INC 2015-03-18 CN claimed
EP-0657442-A2 Thiazole derivate and process for its preparation ASAHI CHEMICAL CO., LTD. (JP) 1995-06-14 EP claimed
JP-7157477-A None JP disclosed
CN-109485617-B Preparation method of N-methyl-2-isopropyl-4-thiazole methylamine 贵州永诺菲特生物制药有限公司 2023-01-31 CN disclosed
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 CN disclosed
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 CN disclosed
US-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders GENENTECH, INC. (US) 2021-04-06 US disclosed
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-04-01 US disclosed
EP-3696171-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
EP-3018125-B1 NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR SHIN NIPPON BIOMEDICAL LABORATORIES LTD (JP) 2020-08-05 EP disclosed
JP-H07157477-A PRODUCTION OF THIAZOLE DERIVATIVE ASAHI KAGAKU KOGYO KK 1995-06-20 JP disclosed
EP-0657442-A2 Thiazole derivate and process for its preparation ASAHI CHEMICAL CO., LTD. (JP) 1995-06-14 EP disclosed
EP-0657442-A2 Thiazole derivate and process for its preparation ASAHI CHEMICAL CO., LTD. (JP) 1995-06-14 EP disclosed
WO-1995007696-A1 PHARMACEUTICAL COMPOSITION OF HIV-PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1995-03-23 WO disclosed
WO-1994014436-A1 RETROVIRAL PROTEASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed
EP-0032058-B1 THIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-26 EP disclosed
US-4411900-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-10-25 US disclosed
EP-0032058-A1 Thiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-15 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 (2 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-10968203-B2 Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders XBP1, ERN1, ATF4 SLC6A3 4116/4885SMN1; SMN2 379/4885KMT2A 4455/4885
US-20210093618-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SLC6A3 1320/4885SMN1; SMN2 2483/4885KMT2A 277/4885

“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.