SCHEMBL2610069

SCHEMBL2610069

O=C(Nc1ccc(Cl)cc1)C(O)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GAA P10253 1/20 0.54
ATM Q13315 1/20 0.54
GPR55 Q9Y2T6 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CNR1 P21554 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
IDO1 P14902 1/20 0.49
KLK7 P49862 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GLS O94925 3/20 0.48

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
SCHEMBL8864057 0.89 MEN1 (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7299745 0.84 MEN1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL20124862 0.84 RAB9A (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4529118 0.84 MEN1 (0.71) KMT2AMEN1NPC1RAB9AIDO1
SCHEMBL18086476 0.84 MAPK1 (0.64) KMT2AMEN1GAANPC1RAB9A
SCHEMBL7300551 0.84 MEN1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28703199 0.84 MEN1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6663334 0.83 ROCK2 (0.60) KMT2AMEN1GAAATMGPR55
SCHEMBL21880195 0.83 ROCK2 (0.60) KMT2AMEN1GAAATMGPR55
SCHEMBL9724978 0.83 KMT2A (0.52) KMT2AMEN1GAAATMGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-09 US disclosed
US-8969342-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2015-03-03 US disclosed
US-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections University of Georgia Foundation, Inc. (US) 2012-04-26 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 (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-20120101096-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885MEN1 3561/4885GAA 264/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885MEN1 3561/4885GAA 264/4885

“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.