SCHEMBL786586

SCHEMBL786586

Cc1ccc(C(=O)c2c[nH]c(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CHEK2 O96017 5/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM2 Q14416 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL724434 0.86 ALDH1A1 (0.42) CHEK2ALDH1A1LMNARAB9ANPC1
SCHEMBL723473 0.86 CHEK2 (0.41) CHEK2ALDH1A1CNR2NPC1SMN1; SMN2
SCHEMBL724208 0.86 ALDH1A1 (0.48) CES2CES1CHEK2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL724182 0.85 ALDH1A1 (0.41) CHEK2ALDH1A1LMNARAB9ANPC1
SCHEMBL786732 0.84 CHEK2 (0.40) CHEK2ALDH1A1LMNARAB9ANPC1
SCHEMBL724202 0.80 HSD17B14 (0.42) CHEK2CNR2CNR1
SCHEMBL8963515 0.79 NISCH (0.42) CHEK2ALDH1A1GRM2GAASMN1; SMN2
SCHEMBL14952963 0.77 NOTUM (0.47) CHEK2RAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL1078329 0.77 CHEK2 (0.48) CHEK2ALDH1A1RAB9AL3MBTL1GRM2
SCHEMBL15180532 0.77 ALDH1A1 (0.49) CHEK2ALDH1A1RAB9AGAASMN1; SMN2

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 11 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-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-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-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 (7 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 CES2 3727/4885CES1 3465/4885CHEK2 284/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CES2 3727/4885CES1 3465/4885CHEK2 284/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB CES2 2621/4885CES1 3402/4885CHEK2 2076/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB CES2 876/4885CES1 1430/4885CHEK2 1633/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CES2 3727/4885CES1 3465/4885CHEK2 284/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CES2 3727/4885CES1 3465/4885CHEK2 284/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB CES2 876/4885CES1 1430/4885CHEK2 1633/4885

“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.