SCHEMBL16624872

SCHEMBL16624872

Cc1ccc(NC(=O)Cn2c(-c3cnn(C)c3)nc3cc(Br)ccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
EGFR P00533 1/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
PPARG P37231 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
MARK4 Q96L34 1/20 0.41
BCHE P06276 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MET P08581 1/20 0.40
SMO Q99835 1/20 0.40
HPSE Q9Y251 1/20 0.40

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
SCHEMBL16627030 0.93 MEN1 (0.47) KDM4EKMT2AMAPTNPSR1BCHE
SCHEMBL2607390 0.78 KMT2A (0.60) KDM4EKMT2AMAPTNPSR1LMNA
SCHEMBL2607369 0.71 KDM4E (0.71) KDM4EKMT2ATP53MAPTNPSR1
SCHEMBL2607350 0.71 KDM4E (0.62) KDM4EKMT2ABCHELMNAMEN1
SCHEMBL2607552 0.69 KDM4E (0.52) KDM4EKMT2ALMNAMEN1
SCHEMBL2607478 0.68 KMT2A (0.68) KDM4EKMT2AMAPTNPSR1LMNA
SCHEMBL16424034 0.65 AVPR1B (0.54)
SCHEMBL20715449 0.65 KMT2A (0.76) KDM4EKMT2AMAPTNPSR1RXFP1
SCHEMBL2607735 0.65 KMT2A (0.63) KDM4EKMT2AMAPTNPSR1LMNA
SCHEMBL2607365 0.64 KDM4E (0.65) KDM4EKMT2ALMNAMEN1

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 KDM4E 1620/4885KMT2A 3016/4885EGFR 4782/4885

“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.