SCHEMBL2607480

SCHEMBL2607480

O=C(Cn1c(C2=CCC=N2)nc2ccccc21)Nc1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.62
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.58
KDR P35968 1/20 0.57
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 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
SCHEMBL2607447 0.89 KMT2A (0.64) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2607491 0.88 KDM4E (0.52) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL2607755 0.86 MEN1 (0.65) BCHEMEN1KMT2AHTTKDM4E
SCHEMBL2607589 0.86 USP2 (0.65) BCHEMEN1KMT2AHTTKDM4E
SCHEMBL2607603 0.84 KDM4E (0.49) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL2607550 0.84 MEN1 (0.50) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL2607486 0.84 KDM4E (0.51) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2607466 0.84 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2607735 0.84 KMT2A (0.63) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL2607503 0.83 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1LMNA

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 1002/4885MEN1 3561/4885KMT2A 3016/4885
US-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 BCHE 1002/4885MEN1 3561/4885KMT2A 3016/4885

“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.