SCHEMBL2133364

SCHEMBL2133364

O=C(Nc1ccc(Cl)cc1)C(Oc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
F9 P00740 4/20 0.53
F10 P00742 4/20 0.53
PLAU P00749 4/20 0.53
KLK7 P49862 3/20 0.51
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ESRRA P11474 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL10175970 0.89 F9 (0.54) KMT2AF9F10PLAUKLK7
SCHEMBL10176508 0.88 KMT2A (0.55) KMT2AF9F10PLAUALDH1A1
SCHEMBL10176503 0.88 RAB9A (0.53) KMT2AF9F10PLAUALDH1A1
SCHEMBL16541199 0.84 F10 (0.50) KMT2AF9F10PLAUALDH1A1
SCHEMBL16541198 0.84 F9 (0.50) KMT2AF9F10PLAUALDH1A1
SCHEMBL2132471 0.84 KDM4E (0.54) KMT2AKLK7ALDH1A1LMNAGAA
SCHEMBL2134257 0.82 KLK7 (0.49) KMT2AKLK7ALDH1A1MEN1SLC6A2
SCHEMBL4535585 0.81 F9 (0.47) KMT2AF9F10PLAUALDH1A1
SCHEMBL381154 0.80 NFKB1 (0.43) KMT2AMEN1SLC6A2SLC6A4ESRRA
SCHEMBL16541183 0.77 EPHX1 (0.43) KMT2APLAUALDH1A1MEN1SLC6A2

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 6 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-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-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
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 3016/4885F9 3889/4885F10 4031/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885F9 3889/4885F10 4031/4885

“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.