SCHEMBL786763

SCHEMBL786763

COc1cc(C(=O)c2csc(-c3cccs3)n2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
HDAC3 O15379 12/20 0.56
HDAC1 Q13547 12/20 0.56
HDAC7 Q8WUI4 12/20 0.56
HDAC8 Q9BY41 12/20 0.56
HDAC6 Q9UBN7 12/20 0.56
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56
TUBB3 Q13509 1/20 0.56
TUBB2A Q13885 1/20 0.56
TUBB8 Q3ZCM7 1/20 0.56
TUBA3E Q6PEY2 1/20 0.56
TUBA1A Q71U36 1/20 0.56
TUBA1C Q9BQE3 1/20 0.56
TUBB6 Q9BUF5 1/20 0.56
TUBB2B Q9BVA1 1/20 0.56

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
SCHEMBL25478424 0.93 HDAC3 (0.52) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683629 0.83 EGFR (0.69) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683710 0.83 HDAC3 (0.67) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL20850974 0.83 HDAC3 (0.67) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL723752 0.83 HDAC3 (0.67) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683730 0.83 EGFR (0.60) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683776 0.81 EGFR (0.58) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683632 0.81 EGFR (0.58) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL3466531 0.81 EGFR (0.72) EGFRHDAC3HDAC1HDAC7HDAC8
SCHEMBL1683598 0.80 HDAC3 (0.69) 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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US claimed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP claimed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO claimed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 US claimed
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 US disclosed
WO-2023196632-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 WO disclosed
EP-3289876-B1 COMPOUNDS FOR TREATMENT OF CANCER UNIV TENNESSEE RES FOUND (US) 2022-07-20 EP disclosed
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
WO-2021203100-A9 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-12-23 WO disclosed
WO-2021203100-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 WO disclosed
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 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
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
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (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 (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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY EGFR 263/4885HDAC3 569/4885HDAC1 287/4885
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885HDAC3 39/4885HDAC1 19/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB EGFR 3966/4885HDAC3 377/4885HDAC1 348/4885
US-20220024912-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
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB EGFR 3883/4885HDAC3 120/4885HDAC1 337/4885

“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.