SCHEMBL786597

SCHEMBL786597

COc1cc(C(=O)c2c[nH]c(Nc3c[nH]c4ccccc34)n2)cc(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 15/20 0.52
TUBB4A P04350 14/20 0.52
TUBB P07437 14/20 0.52
TUBA3C P0DPH7 14/20 0.52
TUBA1B P68363 14/20 0.52
TUBA4A P68366 14/20 0.52
TUBB4B P68371 14/20 0.52
TUBB3 Q13509 14/20 0.52
TUBB2A Q13885 14/20 0.52
TUBB8 Q3ZCM7 14/20 0.52
TUBA3E Q6PEY2 14/20 0.52
TUBA1A Q71U36 14/20 0.52
TUBA1C Q9BQE3 14/20 0.52
TUBB6 Q9BUF5 14/20 0.52
TUBB2B Q9BVA1 14/20 0.52
USP2 O75604 1/20 0.45
PTGS2 P35354 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
SCHEMBL786511 0.83 TUBB4A (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL723973 0.83 MEN1 (0.53) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL770174 0.82 MEN1 (0.52) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sabizabulin SCHEMBL29359405 0.80 TUBB4A (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sabizabulin SCHEMBL724794 0.80 TUBB4A (0.63) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sabizabulin SCHEMBL26612334 0.79 TUBB4A (0.62) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sabizabulin SCHEMBL26612327 0.78 TUBB4A (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19221052 0.78 TUBB1 (0.37) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sabizabulin SCHEMBL26612407 0.77 TUBB4A (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Sabizabulin SCHEMBL29728525 0.76 TUBB4A (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS VERU INC. (US) 2021-10-07 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US 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
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 (10 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 TUBB1 132/4885TUBB4A 296/4885TUBB 213/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 TUBB1 132/4885TUBB4A 296/4885TUBB 213/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB TUBB1 2/4885TUBB4A 7/4885TUBB 3/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 TUBB1 132/4885TUBB4A 296/4885TUBB 213/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 TUBB1 132/4885TUBB4A 296/4885TUBB 213/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB TUBB1 2/4885TUBB4A 7/4885TUBB 3/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 TUBB1 132/4885TUBB4A 296/4885TUBB 213/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 TUBB1 132/4885TUBB4A 296/4885TUBB 213/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB TUBB1 2/4885TUBB4A 7/4885TUBB 3/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB TUBB1 2/4885TUBB4A 7/4885TUBB 3/4885

“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.