SCHEMBL2162155

SCHEMBL2162155

O=Cc1ccc(-c2ccco2)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.51
RAB9A P51151 10/20 0.51
KDM4E B2RXH2 8/20 0.51
NPC1 O15118 7/20 0.51
BLM P54132 5/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 8/20 0.47
POLB P06746 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
TP53 P04637 1/20 0.44
APAF1 O14727 1/20 0.44
NSD2 O96028 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
MAOB P27338 1/20 0.43
PKM P14618 3/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL13528568 0.82 ALDH1A1 (0.68) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL6987139 0.75 ALDH1A1 (0.47) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL29954228 0.75 ALDH1A1 (0.47) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL4141663 0.72 ALDH1A1 (0.42) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL15173265 0.72 ALDH1A1 (0.56) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL11153519 0.72 ALDH1A1 (0.56) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL9937856 0.71 CCR1 (0.52) ALDH1A1BLMMEN1KMT2AHSD17B10
SCHEMBL13387701 0.70 CYP11B1 (0.46) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL2560501 0.70 ERN1 (0.47) ALDH1A1RAB9AKDM4ENPC1BLM
SCHEMBL913194 0.69 RAB9A (0.46) RAB9ANPC1MEN1KMT2AMAPT

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 ALDH1A1 170/4885RAB9A 2964/4885KDM4E 342/4885

“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.