SCHEMBL2162193

SCHEMBL2162193

COC(=O)c1nc(-c2cccs2)no1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.70
RAB9A P51151 8/20 0.70
MAPT P10636 4/20 0.70
TP53 P04637 1/20 0.70
ATM Q13315 1/20 0.70
SMN1; SMN2 Q16637 7/20 0.62
LMNA P02545 4/20 0.60
KMT2A Q03164 2/20 0.58
PKM P14618 4/20 0.57
MCL1 Q07820 1/20 0.56
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 2/20 0.53
DAGLA Q9Y4D2 1/20 0.53
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL28816256 0.86 MAPT (0.64) NPC1RAB9AMAPTTP53ATM
SCHEMBL492763 0.83 SMN1; SMN2 (0.64) NPC1RAB9AMAPTTP53ATM
SCHEMBL29518033 0.82 NPC1 (0.61) NPC1RAB9AMAPTTP53ATM
SCHEMBL31036198 0.81 SMN1; SMN2 (0.72) NPC1RAB9AMAPTTP53ATM
SCHEMBL16437799 0.81 SMN1; SMN2 (0.75) NPC1RAB9AMAPTTP53ATM
SCHEMBL16437800 0.79 SMN1; SMN2 (0.73) NPC1RAB9AMAPTTP53ATM
SCHEMBL9911656 0.77 SMN1; SMN2 (0.62) NPC1RAB9AMAPTTP53ATM
SCHEMBL493604 0.77 SMN1; SMN2 (0.74) NPC1RAB9AMAPTTP53ATM
SCHEMBL19380258 0.76 RAB9A (0.73) NPC1RAB9AMAPTTP53ATM
SCHEMBL28816316 0.75 NOTUM (0.51) NPC1RAB9AKMT2AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114933573-A 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof 贵州大学 2022-08-23 CN claimed
CN-114933573-B 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof 贵州大学 2023-10-20 CN disclosed
CN-114933573-A 3-substituted-1, 2, 4-oxadiazole-5-carboxylic acid derivative, and preparation method and application thereof 贵州大学 2022-08-23 CN disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-8987312-B2 Alpha-keto heterocycles as FAAH inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2015-03-24 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
US-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-07-28 US disclosed
WO-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 WO disclosed
WO-2010005572-A2 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-01-14 WO 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 (1 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-20110183947-A1 ALPHA-KETO HETEROCYCLES AS FAAH INHIBITORS FAAH, FAAH2, FADS1 NPC1 1567/4885RAB9A 2964/4885MAPT 4639/4885

“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.