SCHEMBL2162886

SCHEMBL2162886

COC(=O)c1nnc(-c2cccs2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.58
ALDH1A1 P00352 12/20 0.58
HPGD P15428 9/20 0.58
HSD17B10 Q99714 8/20 0.58
AHR P35869 1/20 0.58
RAB9A P51151 10/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 9/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
MAPT P10636 4/20 0.54
PPARG P37231 2/20 0.54
NCOA2 Q15596 2/20 0.54
NCOA1 Q15788 2/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
NLRP1 Q9C000 1/20 0.53
RECQL P46063 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GAA P10253 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
SCHEMBL299729 0.77 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL2426380 0.76 TRPM8 (0.55) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL11991177 0.74 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL26469464 0.74 ERCC1 (0.51) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL2161746 0.72 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL2161780 0.72 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL11389854 0.71 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10AHR
SCHEMBL2162093 0.71 CES1 (0.49) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL18195379 0.71 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10RAB9AKMT2A
SCHEMBL31055049 0.70 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 342/4885ALDH1A1 170/4885HPGD 124/4885

“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.