SCHEMBL2607451

SCHEMBL2607451

O=C(Cn1c(C2=CCC=N2)nc2ccccc21)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2607484 0.89 MAPT (0.61) MAPTTP53KDM4EMEN1ALDH1A1
SCHEMBL2607466 0.88 KDM4E (0.52) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2607735 0.88 KMT2A (0.63) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL2607447 0.87 KMT2A (0.64) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL2607488 0.87 KMT2A (0.54) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL2607506 0.84 KDM4E (0.49) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2607351 0.84 LMNA (0.55) MAPTKDM4EMEN1ALDH1A1LMNA
SCHEMBL2607497 0.84 LMNA (0.54) BCHEMAPTTP53KDM4EMEN1
SCHEMBL2607359 0.84 KMT2A (0.52) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL2607755 0.84 MEN1 (0.65) BCHEMAPTKDM4EMEN1ALDH1A1

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 BCHE 1002/4885MAPT 4129/4885TP53 3224/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 BCHE 1002/4885MAPT 4129/4885TP53 3224/4885

“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.