SCHEMBL7670240

SCHEMBL7670240

COc1ccccc1C1NC(=O)c2ccccc2N1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 8/20 0.65
PBRM1 Q86U86 1/20 0.65
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 6/20 0.63
HPGD P15428 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 2/20 0.63
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HSD17B10 Q99714 4/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 1/20 0.55
NPC1 O15118 1/20 0.55
KMT2A Q03164 1/20 0.55
TNKS O95271 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
CHEK1 O14757 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
SCHEMBL7674194 0.88 KDM4E (0.60) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL13604402 0.84 TNKS2 (0.64) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL13599384 0.84 KDM4E (0.63) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL7667617 0.84 TNKS2 (0.64) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL7673041 0.84 TNKS2 (0.64) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL15033492 0.84 TNKS2 (0.60) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL11383047 0.79 KDM4E (0.46) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL24743516 0.79 TNKS2 (1.00) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL29801695 0.79 TNKS2 (1.00) TNKS2PBRM1KDM4EALDH1A1HPGD
SCHEMBL29010889 0.79 TNKS2 (1.00) TNKS2PBRM1KDM4EALDH1A1HPGD

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-9320815-B2 Compounds and methods for enzyme-mediated tumor imaging and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-04-26 US disclosed
US-8394953-B2 Compounds and methods for enzyme-mediated tumor imaging and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-12 US disclosed
US-20090324495-A1 COMPOUNDS AND METHODS FOR ENZYME-MEDIATED TUMOR IMAGING AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-12-31 US disclosed
US-6479499-B1 INHIBITORS OF TUBULIN POLYMERIZATION NATIONAL SCIENCE COUNCIL (TW) 2002-11-12 US disclosed
US-4324682-A PRESSURE RUPTURABLE; FOR MARKING AND IDENTIFICATION AMERICAN CYANAMID COMPANY (US) 1982-04-13 US disclosed
US-4219438-A Composition for marking and identification purposes AMERICAN CYANAMID COMPANY (US) 1980-08-26 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-20090324495-A1 COMPOUNDS AND METHODS FOR ENZYME-MEDIATED TUMOR IMAGING AND THERAPY GAA, RNASE1, GUSB TNKS2 808/4885PBRM1 1087/4885KDM4E 1946/4885

“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.