SCHEMBL786637

SCHEMBL786637

[C-]#[N+]N=C(c1cc(OC)c(O)c(OC)c1)c1csc(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.60
ECE1 P42892 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
CTSK P43235 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL786635 0.92 EGFR (0.70) EGFRECE1MEN1MAPTKMT2A
SCHEMBL725032 0.82 EGFR (0.86) EGFRECE1MEN1MAPTKMT2A
SCHEMBL725033 0.82 EGFR (0.86) EGFRECE1MEN1MAPTKMT2A
SCHEMBL12337139 0.80 EGFR (0.65) EGFRECE1MEN1MAPTKMT2A
SCHEMBL804647 0.79 EGFR (0.55) EGFRECE1MEN1MAPTKMT2A
SCHEMBL786706 0.79 ALDH1A1 (0.57) EGFRECE1ALDH1A1HDAC1HDAC8
SCHEMBL722468 0.78 EGFR (0.76) EGFRECE1MEN1MAPTKMT2A
SCHEMBL786796 0.78 EGFR (0.76) EGFRECE1HDAC1HDAC8HDAC6
SCHEMBL722467 0.78 EGFR (0.76) EGFRECE1MEN1MAPTKMT2A
SCHEMBL724051 0.78 EGFR (0.76) EGFRECE1MEN1MAPTKMT2A

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 13 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-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 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-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-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 (9 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 EGFR 964/4885ECE1 1668/4885MEN1 165/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ECE1 1668/4885MEN1 165/4885
US-20230321045-A1 METHODS OF TREATING INFLUENZA AND POXVIRUS VIRAL INFECTIONS TUBB3, TUBB1, TUBB EGFR 3966/4885ECE1 3151/4885MEN1 3859/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885ECE1 3916/4885MEN1 1308/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 EGFR 520/4885ECE1 3916/4885MEN1 1308/4885
US-20230265081-A1 METHODS OF TREATING CORONAVIRUS TUBB3, TUBB1, TUBB EGFR 3883/4885ECE1 598/4885MEN1 4106/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ECE1 1668/4885MEN1 165/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 EGFR 964/4885ECE1 1668/4885MEN1 165/4885
US-11648236-B2 Methods of treating coronavirus TUBB3, TUBB1, TUBB EGFR 3883/4885ECE1 598/4885MEN1 4106/4885

“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.