SCHEMBL786641

SCHEMBL786641

O=C(c1ccccc1)c1c[nH]c(-c2ccc(O)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
PARP1 P09874 2/20 0.42
TNKS O95271 1/20 0.42
GUSB P08236 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
NPC1 O15118 2/20 0.41
CES2 O00748 1/20 0.41
CNR2 P34972 1/20 0.41
CHEK2 O96017 1/20 0.39
NTSR1 P30989 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 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
SCHEMBL786633 0.91 ALDH1A1 (0.46) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL724208 0.81 ALDH1A1 (0.48) KMT2AMEN1RAB9AMAPTLMNA
SCHEMBL724793 0.81 HTT (0.41) KMT2AMEN1RAB9AMAPTLMNA
SCHEMBL786846 0.79 HSD17B14 (0.44) KMT2AMEN1RAB9AMAPTLMNA
SCHEMBL10556437 0.79 HSD17B1 (0.46) PARP1TNKSGUSBTNKS2ALDH1A1
SCHEMBL722287 0.78 IGFBP3 (0.44) KMT2AMEN1RAB9APARP1NPC1
SCHEMBL724190 0.77 ALDH1A1 (0.54) KMT2AMEN1MAPTCES2CHEK2
SCHEMBL29838132 0.77 POLB (0.48) KMT2AMEN1MAPTPARP1CNR2
SCHEMBL725479 0.77 POLB (0.48) KMT2AMEN1MAPTPARP1CNR2
SCHEMBL725053 0.76 PDGFRB (0.50) KMT2AMEN1

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-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-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-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 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-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-01-21 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 (8 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 KMT2A 2242/4885MEN1 165/4885RAB9A 1147/4885
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 KMT2A 1552/4885MEN1 569/4885RAB9A 375/4885
US-10022356-B2 Compounds for treatment of cancer BRAF, NRAS, RAF1 KMT2A 1552/4885MEN1 569/4885RAB9A 375/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 KMT2A 2242/4885MEN1 165/4885RAB9A 1147/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 KMT2A 2242/4885MEN1 165/4885RAB9A 1147/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 KMT2A 2242/4885MEN1 165/4885RAB9A 1147/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 KMT2A 2242/4885MEN1 165/4885RAB9A 1147/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 KMT2A 2242/4885MEN1 165/4885RAB9A 1147/4885

“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.