SCHEMBL3816262

SCHEMBL3816262

[CH2]c1ccc2scnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.37
NAMPT P43490 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DYRK1A Q13627 1/20 0.37
RIPK3 Q9Y572 2/20 0.37
RIPK1 Q13546 1/20 0.37
RIPK2 O43353 5/20 0.35
KDR P35968 3/20 0.35
TGFBR1 P36897 3/20 0.35

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
SCHEMBL2010188 0.83 NPC1 (0.52) ALDH1A1HSD17B10KDM4ENPC1RAB9A
SCHEMBL28048502 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL10748587 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL858270 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL584449 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL15810376 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL2089681 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL172097 0.74 ALDH1A1 (0.54) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL927314 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10HSD11B1KDM4ENPC1
SCHEMBL115598 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10HSD11B1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN claimed
CN-102532162-A 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2012-07-04 CN claimed
EP-2091929-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS The European Molecular Biology Laboratory (DE) 2009-08-26 EP claimed
CN-101421257-A Agents that disrupt cellular replication and their use in inhibiting pathological conditions EUROPEAN MOLECULAR BIOLOGY LAB EMBL (DE) 2009-04-29 CN claimed
WO-2007107352-A1 AGENTS THAT DISRUPT CELLULAR REPLICATION AND THEIR USE IN INHIBITING PATHOLOGICAL CONDITIONS THE EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2007-09-27 WO claimed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
WO-2024101386-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
CN-104710365-A Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORP 2015-06-17 CN disclosed
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2003-02-13 US disclosed
CN-1366523-A Process for preparing amic acid esters IHARA CHEMICAL IND CO (JP) 2002-08-28 CN disclosed
EP-1182199-A1 PROCESS FOR PREPARING AMIC ACID ESTERS IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2002-02-27 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
CN-1238688-A Thiol sulfonamide metalloprotease inhibitors MONSANTO CO (US) 1999-12-15 CN disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
CN-1226888-A Fluorinated 1,4-disubstituted piperidine derivatives BANYU PHARMA CO LTD (JP) 1999-08-25 CN disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS ALDH1A1 4844/4885HSD17B10 4073/4885HSD11B1 3527/4885
US-20030032667-A1 PROCESS FOR PREPARING AMIC ACID ESTERS MCCC2, EMC1, GANC ALDH1A1 651/4885HSD17B10 214/4885HSD11B1 545/4885

“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.