SCHEMBL7248947

SCHEMBL7248947

N#Cc1ccc(NC(=O)Nc2cccc(C#N)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ GAA P10253 1/20 0.65
▸ ALOX15 P16050 1/20 0.65
▸ CASP7 P55210 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ LMNA P02545 4/20 0.63
▸ HTT P42858 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ NLRP3 Q96P20 1/20 0.63
▸ RAB9A P51151 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ NSD2 O96028 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ UBA2 Q9UBT2 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ POLB P06746 1/20 0.61

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
SCHEMBL29580531 0.93 MAPT (0.87) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL30606801 0.93 MAPT (0.87) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4117070 0.89 MAPT (0.80) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL24987217 0.89 MAPT (0.80) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL6585108 0.89 MAPT (0.80) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL20941585 0.87 ALDH1A1 (0.77) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL10533351 0.87 ALDH1A1 (0.77) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL19921026 0.86 MAPT (0.76) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL11056656 0.86 MAPT (0.75) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL16782007 0.86 MEN1 (0.75) MAPTMEN1KMT2AALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307519-A1 SMALL MOLECULES FOR RESTORING FUNCTION TO P53 CANCER MUTANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 — — US disclosed
US-20150307519-A1 SMALL MOLECULES FOR RESTORING FUNCTION TO P53 CANCER MUTANTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 — — US disclosed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 — — US disclosed
EP-0960104-A1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-12-01 — — EP disclosed
US-5925635-A 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-07-20 — — US disclosed
WO-1997038984-A1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-23 — — 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-20150307519-A1 SMALL MOLECULES FOR RESTORING FUNCTION TO P53 CANCER MUTANTS TP53, TP53BP1, KRAS MAPT 4032/4885MEN1 2234/4885KMT2A 2384/4885

“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.

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