SCHEMBL786549

SCHEMBL786549

COc1cc(C(=O)c2csc(-c3ccccc3)n2)cc(OC)c1OCc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.63
HDAC1 Q13547 17/20 0.63
HDAC7 Q8WUI4 17/20 0.63
HDAC8 Q9BY41 17/20 0.63
HDAC6 Q9UBN7 17/20 0.63
EGFR P00533 2/20 0.54

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
SCHEMBL18576018 0.90 HDAC3 (0.59) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL17241864 0.89 HDAC3 (0.56) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL723752 0.89 HDAC3 (0.67) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL20850974 0.89 HDAC3 (0.67) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL18562034 0.88 HDAC3 (0.58) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL17251706 0.87 HDAC3 (0.58) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL786706 0.85 ALDH1A1 (0.57) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL28532684 0.85 HDAC3 (0.54) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL17241513 0.85 HDAC3 (0.57) HDAC3HDAC1HDAC7HDAC8HDAC6
SCHEMBL18562033 0.84 ALDH1A1 (0.56) HDAC3HDAC1HDAC7HDAC8HDAC6

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111253336-B Compounds for the treatment of cancer GTX公司 2023-11-21 CN disclosed
WO-2023196632-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS VERU INC. (US) 2023-10-12 WO disclosed
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
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2023-08-24 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US disclosed
US-11648236-B2 Methods of treating coronavirus VERU INC. (US) 2023-05-16 US 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
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 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
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-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
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 (8 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 HDAC3 39/4885HDAC1 19/4885HDAC7 29/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC3 39/4885HDAC1 19/4885HDAC7 29/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB HDAC3 377/4885HDAC1 348/4885HDAC7 124/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 HDAC3 1097/4885HDAC1 1044/4885HDAC7 313/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC3 39/4885HDAC1 19/4885HDAC7 29/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB HDAC3 120/4885HDAC1 337/4885HDAC7 436/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC3 39/4885HDAC1 19/4885HDAC7 29/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB HDAC3 120/4885HDAC1 337/4885HDAC7 436/4885

“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.