SCHEMBL2607494

SCHEMBL2607494

Cc1ccc(NC(=O)Cn2c(-c3ccc[nH]3)nc3ccccc32)cc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
LMNA P02545 5/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL2610102 0.90 KMT2A (0.63) KMT2AKDM4ELMNANPSR1MAPT
SCHEMBL2607369 0.83 KDM4E (0.71) KMT2AKDM4ELMNANPSR1HTT
SCHEMBL20715449 0.81 KMT2A (0.76) KMT2AKDM4ELMNANPSR1HTT
SCHEMBL2607365 0.79 KDM4E (0.65) KMT2AKDM4ELMNAHTTMEN1
SCHEMBL2607478 0.79 KMT2A (0.68) KMT2AKDM4ELMNANPSR1HTT
SCHEMBL2607499 0.78 KDM4E (0.64) KMT2AKDM4ELMNANPSR1HTT
SCHEMBL2607735 0.77 KMT2A (0.63) KMT2AKDM4ELMNANPSR1HTT
SCHEMBL2610182 0.77 MEN1 (0.83) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL29728185 0.76 BCHE (0.83) MAPTTP53
SCHEMBL28787647 0.76 BCHE (0.83) MAPTTP53

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 3016/4885KDM4E 1620/4885LMNA 3978/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 KMT2A 3016/4885KDM4E 1620/4885LMNA 3978/4885

“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.