SCHEMBL725866

SCHEMBL725866

CCCCCNc1nc(C(=O)c2cc(OC)c(OC)c(OC)c2)cs1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HDAC3 O15379 13/20 0.50
HDAC1 Q13547 13/20 0.50
HDAC7 Q8WUI4 13/20 0.50
HDAC8 Q9BY41 13/20 0.50
HDAC6 Q9UBN7 13/20 0.50
EGFR P00533 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSD P07339 1/20 0.44

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
SCHEMBL24222515 0.77 HPGD (0.57) HPGDTSHRHDAC3HDAC1HDAC7
SCHEMBL725129 0.75 PLA2G4A (0.57) HPGD
SCHEMBL19221017 0.75 HPGD (0.55) HPGDTSHRHDAC3HDAC1HDAC7
SCHEMBL721918 0.75 HPGDS (0.54) HPGDTSHRHDAC3HDAC1HDAC7
SCHEMBL723275 0.74 HDAC3 (0.55) HPGDTSHRHDAC3HDAC1HDAC7
Hydrochloric Acid SCHEMBL771834 0.74 HPGDS (0.53) HPGDTSHRHDAC3HDAC1HDAC7
SCHEMBL786898 0.74 EGFR (0.55) HPGDTSHRHDAC3HDAC1HDAC7
SCHEMBL10467225 0.74 PLA2G4A (0.59) HPGD
SCHEMBL2880127 0.74 MAPT (0.51) HPGD
SCHEMBL723686 0.73 KDM1A (0.59) HPGDTSHRHDAC3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
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
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP 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
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
EP-2542081-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-01-09 EP disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 WO 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 (6 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 HPGD 522/4885TSHR 4440/4885HDAC3 39/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HPGD 522/4885TSHR 4440/4885HDAC3 39/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 HPGD 522/4885TSHR 4440/4885HDAC3 39/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HPGD 522/4885TSHR 4440/4885HDAC3 39/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HPGD 522/4885TSHR 4440/4885HDAC3 39/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HPGD 522/4885TSHR 4440/4885HDAC3 39/4885

“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.