SCHEMBL786633

SCHEMBL786633

O=C(c1ccccc1)c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
CNR2 P34972 1/20 0.45
F2 P00734 1/20 0.42
F12 P00748 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PIN1 Q13526 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL786641 0.91 KMT2A (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL724793 0.89 HTT (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL724208 0.89 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL722287 0.87 IGFBP3 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL725479 0.85 POLB (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL29838132 0.85 POLB (0.48) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL724190 0.85 ALDH1A1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL786846 0.85 HSD17B14 (0.44) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL1080850 0.84 PIN1 (0.47) ALDH1A1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL724015 0.82 CNR2 (0.55) ALDH1A1KMT2ASMN1; SMN2MEN1NPC1

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 24 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-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-10022356-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-17 US disclosed
US-10022356-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-17 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-01-21 US disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 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-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 (13 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 209/4885KMT2A 2242/4885SMN1; SMN2 3816/4885
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 ALDH1A1 2177/4885KMT2A 1552/4885SMN1; SMN2 3310/4885
US-10022356-B2 Compounds for treatment of cancer BRAF, NRAS, RAF1 ALDH1A1 2177/4885KMT2A 1552/4885SMN1; SMN2 3310/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885KMT2A 2242/4885SMN1; SMN2 3816/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB ALDH1A1 2765/4885KMT2A 3124/4885SMN1; SMN2 3405/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885KMT2A 141/4885SMN1; SMN2 1722/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 ALDH1A1 619/4885KMT2A 141/4885SMN1; SMN2 1722/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ALDH1A1 209/4885KMT2A 2242/4885SMN1; SMN2 3816/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885KMT2A 2242/4885SMN1; SMN2 3816/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885KMT2A 3808/4885SMN1; SMN2 2823/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ALDH1A1 209/4885KMT2A 2242/4885SMN1; SMN2 3816/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB ALDH1A1 3603/4885KMT2A 3808/4885SMN1; SMN2 2823/4885
US-20210308105-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB ALDH1A1 3603/4885KMT2A 3808/4885SMN1; SMN2 2823/4885

“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.