SCHEMBL133067

SCHEMBL133067

CN1C(=O)c2cccc(Br)c2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
USP2 O75604 3/20 0.53
CASP1 P29466 2/20 0.53
BRCA1 P38398 1/20 0.53
CASP7 P55210 1/20 0.53
CASP3 P42574 1/20 0.48
HPGD P15428 4/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL30725968 1.00 MEN1 (0.53) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL12019929 0.78 CASP3 (0.41) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL3681059 0.78 CA2 (0.44) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL2036747 0.78 MEN1 (0.58) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL13239551 0.78 MEN1 (0.54) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL17510028 0.77 CYP1B1 (0.52) MEN1KMT2AHPGDMAPTPOLB
SCHEMBL3218263 0.76 ANPEP (0.54) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL1500604 0.76 ALDH1A1 (0.56) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL30725966 0.76 ALDH1A1 (0.56) MEN1KMT2AUSP2CASP1BRCA1
SCHEMBL30725964 0.76 MEN1 (0.53) MEN1KMT2AUSP2CASP1BRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
EP-1768966-A1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS Infinity Pharmaceuticals, Inc. (US) 2007-04-04 EP disclosed
US-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
WO-2006009869-A1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY PHARMACEUTICALS, INC. (US) 2006-01-26 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-20060025460-A1 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners BCL3, BCL2, BCLAF1 MEN1 3701/4885KMT2A 2782/4885USP2 1234/4885

“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.