SCHEMBL786796

SCHEMBL786796

C/N=C(/c1cc(OC)c(OC)c(OC)c1)c1csc(-c2ccccc2)n1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.76
HDAC3 O15379 16/20 0.49
HDAC1 Q13547 16/20 0.49
HDAC7 Q8WUI4 16/20 0.49
HDAC8 Q9BY41 16/20 0.49
HDAC6 Q9UBN7 16/20 0.49
ECE1 P42892 1/20 0.46

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
SCHEMBL724051 0.91 EGFR (0.76) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL722468 0.91 EGFR (0.76) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL722467 0.91 EGFR (0.76) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL771177 0.89 EGFR (0.74) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL770133 0.89 EGFR (0.74) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL770132 0.89 EGFR (0.74) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL724061 0.89 EGFR (0.74) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL724062 0.89 EGFR (0.74) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL770521 0.89 EGFR (0.74) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL786635 0.86 EGFR (0.70) EGFRHDAC3HDAC1HDAC7HDAC8

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
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
US-9334242-B2 Compounds for treatment of cancer GTX, INC. (US) 2016-05-10 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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 (4 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885HDAC3 39/4885HDAC1 19/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885HDAC3 39/4885HDAC1 19/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885HDAC3 39/4885HDAC1 19/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885HDAC3 39/4885HDAC1 19/4885

“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.