SCHEMBL725134

SCHEMBL725134

CCCCCc1nc(C(=O)c2ccccc2)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL28230958 0.90 L3MBTL1 (0.41) CDK2ALDH1A1KMT2AL3MBTL1
SCHEMBL27888204 0.87 GPR84 (0.44) ALDH1A1
SCHEMBL1082482 0.82 HCAR2 (0.50) ALDH1A1CYP1A2MEN1KMT2AL3MBTL1
Benzene SCHEMBL27598568 0.81 GPR84 (0.40) ALDH1A1PARP1
SCHEMBL27617396 0.81 PTGS1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3429001 0.79 GPR84 (0.43) ALDH1A1
SCHEMBL23415846 0.78 GPR84 (0.44) ALDH1A1
SCHEMBL23415802 0.78 GPR84 (0.44) ALDH1A1
SCHEMBL23415837 0.78 GPR84 (0.44) ALDH1A1
SCHEMBL10790346 0.78 GPR84 (0.44) ALDH1A1

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 27 patents — showing the first 20. 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
EP-3793549-A1 COMPOUNDS FOR TREATMENT OF TRIPLE NEGATIVE BREAST CANCER AND OVARIAN CANCER University of Tennessee Research Foundation (US) 2021-03-24 EP disclosed
EP-3793548-A1 COMPOUNDS FOR TREATMENT OF PANCREATIC CANCER University of Tennessee Research Foundation (US) 2021-03-24 EP disclosed
CN-112512522-A Compounds for the treatment of triple negative breast and ovarian cancer 田纳西大学研究基金会 2021-03-16 CN disclosed
CN-112437664-A Compounds for the treatment of pancreatic cancer 田纳西大学研究基金会 2021-03-02 CN disclosed
CN-105163584-B Compounds for the treatment of cancer 田纳西大学研究基金会 2019-06-04 CN disclosed
CN-109568312-A Compound for treating cancer 田纳西大学研究基金会 2019-04-05 CN disclosed
EP-2608671-B1 COMPOUNDS FOR TREATMENT OF CANCER GTX INC (US) 2018-12-12 EP disclosed
US-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-11-15 US disclosed
WO-2014138279-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-09-12 WO disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
EP-2608671-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-07-03 EP disclosed
EP-2542081-A1 COMPOUNDS FOR TREATMENT OF CANCER Gtx, Inc. (US) 2013-01-09 EP disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
WO-2012027481-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2012-03-01 WO disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 US disclosed
WO-2011109059-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2011-09-09 WO 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 (6 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 3465/4885CCNB2 860/4885
US-20180325872-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 CES2 4836/4885CES1 4630/4885CCNB2 691/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CES2 3727/4885CES1 3465/4885CCNB2 860/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 CES2 3727/4885CES1 3465/4885CCNB2 860/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CES2 3727/4885CES1 3465/4885CCNB2 860/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 CES2 3727/4885CES1 3465/4885CCNB2 860/4885

“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.