SCHEMBL1361318

SCHEMBL1361318

N#Cc1cc(N)c(C=O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PADI4 Q9UM07 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38
MAOA P21397 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
AR P10275 1/20 0.36
THRB P10828 1/20 0.36
SLC22A12 Q96S37 4/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL24713060 0.73 KDM4E (0.42) KDM4EMAPTHPGDGAAMEN1
SCHEMBL14877262 0.71 IMPDH2 (0.41) KDM4EMEN1LMNAKMT2AIMPDH2
SCHEMBL630084 0.71 IMPDH2 (0.52) KDM4EMAPTHPGDGAAIMPDH2
SCHEMBL30175215 0.71 IMPDH2 (0.52) KDM4EMAPTHPGDGAAIMPDH2
SCHEMBL10488449 0.71 CA1 (0.50) KDM4EMAPTHPGDMEN1LMNA
SCHEMBL7198800 0.70 ANPEP (0.40) KDM4EMAPTGAAMEN1LMNA
SCHEMBL10488349 0.70 KDM4E (0.47) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL151936 0.70 IMPDH2 (0.64) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL29489135 0.70 IMPDH2 (0.64) KDM4EMAPTGAAMEN1KMT2A
SCHEMBL2460593 0.68 IMPDH2 (0.48) KDM4EMAPTGAAMEN1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
EP-2170899-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA KDM4E 3268/4885MAPT 4524/4885HPGD 137/4885

“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.