SCHEMBL2610079

SCHEMBL2610079

CC(Oc1ccccc1)C(=O)NCc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
POLB P06746 1/20 0.59
RECQL P46063 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
GAA P10253 2/20 0.53
HTT P42858 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL10053820 0.87 RECQL (0.62) POLBRECQLKDM4EALDH1A1NPC1
SCHEMBL11216889 0.81 PPARG (0.54) POLBRECQLKDM4EALDH1A1MAPT
SCHEMBL10054191 0.79 POLB (0.67) POLBRECQLKDM4EALDH1A1RAB9A
SCHEMBL14643575 0.79 LMNA (0.78) KDM4EALDH1A1MAPTGAAHTT
SCHEMBL14643585 0.78 LMNA (0.82) KDM4EALDH1A1MAPTGAAHTT
SCHEMBL10175988 0.78 KMT2A (0.72) POLBHTTL3MBTL1HPGDATM
SCHEMBL2610073 0.78 KMT2A (0.72) POLBHTTL3MBTL1HPGDATM
SCHEMBL2610075 0.78 KMT2A (0.72) POLBHTTL3MBTL1HPGDATM
SCHEMBL14644806 0.78 LMNA (0.72) KDM4EALDH1A1MAPTGAAHTT
SCHEMBL10175715 0.77 L3MBTL1 (0.57) EPHX2POLBALDH1A1MAPTL3MBTL1

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 EPHX2 121/4885POLB 2033/4885RECQL 1610/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 EPHX2 121/4885POLB 2033/4885RECQL 1610/4885

“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.