SCHEMBL16627030

SCHEMBL16627030

Cn1cc(-c2nc3cc(Br)ccc3n2CC(=O)Nc2ccc(Cl)cc2)cn1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL16624872 0.93 KDM4E (0.45) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL2607390 0.87 KMT2A (0.60) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2607552 0.77 KDM4E (0.52) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL10175827 0.72 KMT2A (0.70) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2607470 0.71 KDM4E (0.69) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2607478 0.71 KMT2A (0.68) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL16424034 0.70 AVPR1B (0.54)
SCHEMBL2607350 0.69 KDM4E (0.62) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL13182350 0.69 KMT2A (0.65) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2610181 0.69 MEN1 (0.68) 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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20150099781-A1 Compounds and Methods for Treating Mammalian Gastrointestinal Microbial Infections IMPDH1, IMPDH2, IMPA1 MEN1 3561/4885KMT2A 3016/4885KDM4E 1620/4885

“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.