SCHEMBL507242

SCHEMBL507242

COC(=O)c1ccc2ncsc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.66
NPC1 O15118 8/20 0.66
KDM4E B2RXH2 4/20 0.66
TDP1 Q9NUW8 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
HKDC1 Q2TB90 1/20 0.66
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
GFER P55789 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.56
TAS1R1 Q7RTX1 1/20 0.56
NTRK1 P04629 1/20 0.55
NTRK2 Q16620 1/20 0.55
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
RECQL P46063 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL19900857 0.88 NPC1 (0.62) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL1538274 0.87 NAMPT (0.51) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL29852002 0.87 NAMPT (0.51) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL28753178 0.84 ERN1 (0.52) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL29627194 0.84 ERN1 (0.52) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL18062419 0.84 NPC1 (0.66) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL28327199 0.84 NPC1 (0.66) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL2665689 0.83 TDP1 (0.63) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL12600103 0.82 RAB9A (0.59) RAB9ANPC1KDM4ETDP1L3MBTL1
SCHEMBL3930292 0.81 NPC1 (0.72) RAB9ANPC1KDM4ETDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10224485-B2 Process for preparing a crystalline organic semiconductor material BASF SE (DE) 2019-03-05 US claimed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US claimed
US-20250179008-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2025-06-05 US disclosed
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2025-03-27 US disclosed
EP-3632910-B1 3,4-DIHYDROQUINOLINONES AS FXR RECEPTOR AGONISTS CSPC ZHONGQI PHARMACEUTICAL TECH SHIJIAZHUANG CO LTD (CN) 2024-07-17 EP disclosed
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor HUTCHISON MEDIPHARMA LTD (CN) 2024-05-02 US disclosed
CN-117903166-A Novel ASK1 inhibitor and preparation method and application thereof 中国药科大学 2024-04-19 CN disclosed
CN-117903036-A Synthesis and application of novel FXR (FXR) agonist 厦门市博瑞来医药科技有限公司 2024-04-19 CN disclosed
CN-111655680-B Hormone receptor modulators for the treatment of metabolic mutations and fibrotic conditions and disorders 阿德利克斯股份有限公司 2024-03-05 CN disclosed
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor HUTCHISON MEDIPHARMA LIMITED (CN) 2024-02-13 US disclosed
CN-116854681-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2023-10-10 CN disclosed
WO-2009075778-A2 NONPEPTIDIC INHIBITORS OF CRUZAIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-18 WO disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
CN-1934088-A As 5-HT2c6-substituted 2,3,4, 5-tetrahydro-1H-benzo [ d ] receptor agonists]Aza * LILLY CO ELI (US) 2007-03-21 CN disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABOTT LABORATORIES 2005-09-22 US disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-20050187387-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-08-25 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 (7 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 RAB9A 3673/4885NPC1 2664/4885KDM4E 1208/4885
US-20050209274-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R RAB9A 1046/4885NPC1 922/4885KDM4E 2305/4885
US-11896592-B2 Certain triazolopyridines and triazolopyrazines, compositions thereof and methods of use therefor TK2, TYMP, DPYD RAB9A 4383/4885NPC1 2300/4885KDM4E 3641/4885
US-20250179008-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 RAB9A 2799/4885NPC1 1400/4885KDM4E 2407/4885
US-10224485-B2 Process for preparing a crystalline organic semiconductor material STOM, SPOP, TTR RAB9A 1863/4885NPC1 917/4885KDM4E 3646/4885
US-20250099462-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 RAB9A 4795/4885NPC1 2546/4885KDM4E 4236/4885
US-20240139182-A1 Certain Triazolopyridines and Triazolopyrazines, Compositions Thereof and Methods of Use Therefor KCNJ11, NISCH, CYP4Z1 RAB9A 4795/4885NPC1 2546/4885KDM4E 4236/4885

“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.