SCHEMBL2610073

SCHEMBL2610073

C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.72
MEN1 O00255 3/20 0.72
RXFP1 Q9HBX9 1/20 0.72
POLB P06746 1/20 0.70
TSHR P16473 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 1/20 0.60
ATM Q13315 1/20 0.60
HPGD P15428 1/20 0.58
KLK7 P49862 1/20 0.58
ADORA3 P0DMS8 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56

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
SCHEMBL2610075 1.00 KMT2A (0.72) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL10175988 1.00 KMT2A (0.72) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL2610080 0.94 KMT2A (0.65) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL10175696 0.94 KMT2A (0.63) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL10175701 0.92 KMT2A (0.62) KMT2AMEN1RXFP1POLBL3MBTL1
SCHEMBL2610084 0.92 PORCN (0.63) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL13532261 0.89 KMT2A (0.77) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL10175703 0.88 KMT2A (0.78) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL28576478 0.88 MEN1 (0.76) KMT2AMEN1RXFP1POLBTSHR
SCHEMBL28915828 0.88 MEN1 (0.76) KMT2AMEN1RXFP1POLBTSHR

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 3561/4885RXFP1 3505/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885MEN1 3561/4885RXFP1 3505/4885

“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.