SCHEMBL786732

SCHEMBL786732

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.40
SRD5A2 P31213 2/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
CSF1R P07333 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAP2K4 P45985 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
PARP1 P09874 1/20 0.36
TYMP P19971 1/20 0.35
PKM P14618 1/20 0.34

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 0.84 ALDH1A1 (0.42) CHEK2ALDH1A1LMNANPC1RAB9A
SCHEMBL786586 0.84 CES2 (0.46) CHEK2ALDH1A1LMNANPC1RAB9A
SCHEMBL724208 0.83 ALDH1A1 (0.48) CHEK2SRD5A2ALDH1A1LMNANPC1
Hydrochloric Acid SCHEMBL724182 0.83 ALDH1A1 (0.41) CHEK2ALDH1A1LMNANPC1RAB9A
SCHEMBL8963515 0.77 NISCH (0.42) CHEK2ALDH1A1KDM4EMEN1GLA
SCHEMBL1078329 0.75 CHEK2 (0.48) CHEK2ALDH1A1RAB9APARP1TYMP
SCHEMBL15180532 0.75 ALDH1A1 (0.49) CHEK2ALDH1A1RAB9AKDM4EMEN1
SCHEMBL17449550 0.74 TUBB4A (0.40) ALDH1A1LMNAMEN1HPGDKMT2A
SCHEMBL9031207 0.74 MAP2K4 (0.39) CSF1RMAP2K4PARP1
SCHEMBL724800 0.73 SMPD3 (0.47) ALDH1A1LMNAKDM4EMEN1HPGD

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 10 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-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 CHEK2 284/4885SRD5A2 2343/4885ALDH1A1 209/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CHEK2 284/4885SRD5A2 2343/4885ALDH1A1 209/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB CHEK2 2076/4885SRD5A2 4270/4885ALDH1A1 2765/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB CHEK2 1633/4885SRD5A2 3604/4885ALDH1A1 3603/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CHEK2 284/4885SRD5A2 2343/4885ALDH1A1 209/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CHEK2 284/4885SRD5A2 2343/4885ALDH1A1 209/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB CHEK2 1633/4885SRD5A2 3604/4885ALDH1A1 3603/4885

“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.