SCHEMBL786870

SCHEMBL786870

Fc1ccc(CN2CCCc3ccc(Br)cc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.62
HDAC6 Q9UBN7 16/20 0.62
HDAC8 Q9BY41 4/20 0.50
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42

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
SCHEMBL1670322 0.86 HDAC1 (0.62) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL31476426 0.86 HDAC1 (0.62) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL3797439 0.83 HDAC1 (0.60) HDAC1HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL31058502 0.81 HDAC1 (0.57) HDAC1HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL3793050 0.77 HTR2A (0.56) HDAC1HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL23950253 0.77 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL30051193 0.77 HDAC1 (1.00) HDAC1HDAC6HDAC8HDAC3HDAC2
SCHEMBL16035596 0.77 CYP1A2 (0.49) HDAC1HDAC6CYP1A2CYP3A4CYP2D6
SCHEMBL16030871 0.77 CYP1A2 (0.55) HDAC1HDAC6HDAC8CYP1A2CYP3A4
SCHEMBL29483472 0.77 HDAC1 (0.65) HDAC1HDAC6HDAC8HDAC3HDAC2

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 HDAC1 19/4885HDAC6 16/4885HDAC8 50/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC1 19/4885HDAC6 16/4885HDAC8 50/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC1 19/4885HDAC6 16/4885HDAC8 50/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC1 19/4885HDAC6 16/4885HDAC8 50/4885

“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.