SCHEMBL786515

SCHEMBL786515

O=C(c1csc(-c2cc(F)c(F)c(F)c2)n1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
TLR7 Q9NYK1 3/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
HPGDS O60760 1/20 0.35

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
SCHEMBL786691 0.82 HDAC1 (0.57) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL23904488 0.71 ALDH1A1 (0.35) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL20031666 0.70 NPC1 (0.30) RAB9ANPC1
SCHEMBL2094742 0.68 RAB9A (0.35) ALDH1A1LMNARAB9ANPC1
SCHEMBL2094745 0.68 CYP3A4 (0.46) ALDH1A1RAB9ANPC1HPGD
SCHEMBL31341221 0.68 ALDH1A1 (0.61) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL15896524 0.67 ALDH1A1 (0.47) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL1683603 0.66 HDAC1 (0.56) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL786761 0.66 TLR7 (0.56) ALDH1A1LMNAHDAC1HDAC8HDAC6
SCHEMBL27768683 0.65 HPGD (0.68) ALDH1A1LMNAHDAC1HDAC8HDAC6

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 31 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-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-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 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 ALDH1A1 209/4885LMNA 3427/4885HDAC1 19/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885LMNA 1128/4885HDAC1 1044/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885LMNA 1128/4885HDAC1 1044/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885HDAC1 19/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB ALDH1A1 2765/4885LMNA 588/4885HDAC1 348/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885LMNA 1128/4885HDAC1 1044/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885HDAC1 19/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885HDAC1 19/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885LMNA 1035/4885HDAC1 337/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885LMNA 3427/4885HDAC1 19/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB ALDH1A1 3603/4885LMNA 1035/4885HDAC1 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.