SCHEMBL982808

SCHEMBL982808

NC(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.62
CCND1 P24385 1/20 0.62
CCNC P24863 1/20 0.62
CDK8 P49336 1/20 0.62
CDK7 P50613 1/20 0.62
CDK9 P50750 1/20 0.62
CCNH P51946 1/20 0.62
MNAT1 P51948 1/20 0.62
CDK6 Q00534 1/20 0.62
NPC1 O15118 2/20 0.60
AR P10275 1/20 0.60
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PTGS2 P35354 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
ERN1 O75460 2/20 0.49
CTNNB1 P35222 1/20 0.49

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
SCHEMBL3663816 0.88 CCNT1 (0.58) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL7087653 0.84 MAP4K4 (0.62) CDK8CDK7NPC1ARCA12
SCHEMBL1679740 0.84 FYN (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL29540009 0.83 F2 (0.68) NPC1ARCTNNB1WNT3AF2
SCHEMBL27522161 0.83 F2 (0.68) NPC1ARCTNNB1WNT3AF2
SCHEMBL170646 0.83 F2 (0.68) NPC1ARCTNNB1WNT3AF2
Hydrochloric Acid SCHEMBL28262778 0.82 F2 (0.66) NPC1ARCTNNB1WNT3AF2
Hydrochloric Acid SCHEMBL5697710 0.82 F2 (0.66) NPC1ARCTNNB1WNT3AF2
Hydrochloric Acid SCHEMBL28262780 0.82 F2 (0.66) NPC1ARCTNNB1WNT3AF2
Hydrochloric Acid SCHEMBL28262753 0.82 F2 (0.66) NPC1ARCTNNB1WNT3AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US claimed
US-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 US disclosed
CN-101965189-A Activators of pro-caspase 3, 6 and 7 UNIV CALIFORNIA 2011-02-02 CN disclosed
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 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 (2 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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L CCNT1 686/4885CCND1 963/4885CCNC 1496/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CCNT1 2214/4885CCND1 2430/4885CCNC 1297/4885

“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.