SCHEMBL10175699

SCHEMBL10175699

CC(Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
KDM4E B2RXH2 1/20 0.66
GAA P10253 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
LMNA P02545 2/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
PKM P14618 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 1/20 0.57
XIAP P98170 1/20 0.56
HPGD P15428 2/20 0.56
MAPT P10636 2/20 0.54
KLK7 P49862 1/20 0.52

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
SCHEMBL10175709 0.90 KDM4E (0.61) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL10175710 0.86 ALDH1A1 (0.87) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL10175707 0.84 KDM4E (0.56) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL2132471 0.84 KDM4E (0.54) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL10065067 0.82 L3MBTL1 (0.56) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL10175988 0.82 KMT2A (0.72) L3MBTL1TSHRHTTHPGDKLK7
SCHEMBL2610073 0.82 KMT2A (0.72) L3MBTL1TSHRHTTHPGDKLK7
SCHEMBL2610075 0.82 KMT2A (0.72) L3MBTL1TSHRHTTHPGDKLK7
SCHEMBL10175701 0.80 KMT2A (0.62) ALDH1A1KDM4EGAAL3MBTL1LMNA
SCHEMBL11079681 0.80 ALDH1A1 (0.62) ALDH1A1KDM4EGAAL3MBTL1LMNA

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 ALDH1A1 45/4885KDM4E 1620/4885GAA 264/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 ALDH1A1 45/4885KDM4E 1620/4885GAA 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.