SCHEMBL786691

SCHEMBL786691

O=C(c1csc(-c2ccccc2)n1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
TDP1 Q9NUW8 2/20 0.55
HPGDS O60760 2/20 0.51
TLR7 Q9NYK1 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 3/20 0.50
ATM Q13315 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47

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
SCHEMBL27768678 0.85 HDAC1 (0.70) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL786515 0.82 ALDH1A1 (0.41) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL1683594 0.81 HDAC1 (0.64) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL1683603 0.81 HDAC1 (0.56) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL786711 0.81 LMNA (0.56) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL352152 0.79 HPGDS (0.73) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL5286547 0.78 HDAC1 (0.54) HDAC1HDAC8HDAC6TDP1HPGDS
Hydrochloric Acid SCHEMBL6821751 0.77 HPGDS (0.71) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL1683722 0.77 TLR7 (0.72) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL1574742 0.76 HDAC1 (0.66) HDAC1HDAC8HDAC6TDP1HPGDS

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 32 patents — showing the first 20. 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-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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 19/4885HDAC8 50/4885HDAC6 16/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 HDAC1 1044/4885HDAC8 1069/4885HDAC6 622/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC1 19/4885HDAC8 50/4885HDAC6 16/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB HDAC1 348/4885HDAC8 121/4885HDAC6 20/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 HDAC1 1044/4885HDAC8 1069/4885HDAC6 622/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 HDAC1 19/4885HDAC8 50/4885HDAC6 16/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC1 19/4885HDAC8 50/4885HDAC6 16/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB HDAC1 337/4885HDAC8 578/4885HDAC6 19/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HDAC1 19/4885HDAC8 50/4885HDAC6 16/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB HDAC1 337/4885HDAC8 578/4885HDAC6 19/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB HDAC1 337/4885HDAC8 578/4885HDAC6 19/4885

“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.