SCHEMBL13599384

SCHEMBL13599384

COc1cccc(OC)c1C1NC(=O)c2ccccc2N1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.63
ALDH1A1 P00352 4/20 0.63
HPGD P15428 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPT P10636 2/20 0.63
TNKS2 Q9H2K2 8/20 0.60
PBRM1 Q86U86 2/20 0.54
SMARCA2 P51531 1/20 0.54
SMARCA4 P51532 1/20 0.54
HSD17B10 Q99714 3/20 0.53
TNKS O95271 2/20 0.50
PARP3 Q9Y6F1 2/20 0.50
CHEK1 O14757 1/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 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
SCHEMBL7670240 0.84 TNKS2 (0.65) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7674194 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7667617 0.79 TNKS2 (0.64) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7665294 0.78 ALDH1A1 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL30257239 0.78 ALDH1A1 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7673041 0.76 TNKS2 (0.64) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL7674927 0.75 TNKS2 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL29913510 0.75 TNKS2 (1.00) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL27925475 0.75 TNKS2 (0.72) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL27925494 0.75 TNKS2 (0.72) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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 3 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

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 KDM4E 1946/4885ALDH1A1 407/4885HPGD 334/4885

“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.