SCHEMBL1683758

SCHEMBL1683758

COc1ccccc1C(=O)c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.52
ADORA3 P0DMS8 2/20 0.51
ADORA2A P29274 2/20 0.51
ADORA1 P30542 1/20 0.51
MAPT P10636 3/20 0.45
CHEK2 O96017 1/20 0.45
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 3/20 0.43
RXFP1 Q9HBX9 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
DHODH Q02127 1/20 0.40
ESRRA P11474 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1683917 0.85 NPC1 (0.42) CNR2ADORA3ADORA2AADORA1MAPT
SCHEMBL724076 0.81 CYP1A2 (0.51) MAPTHSD17B10NPC1L3MBTL1
SCHEMBL725347 0.81 TUBB4A (0.56)
SCHEMBL4420802 0.79 CNR2 (0.45) CNR2ADORA3ADORA2AADORA1CHEK2
SCHEMBL1683794 0.79 CES2 (0.41) MAPTALOX15NPC1RAB9ADHODH
SCHEMBL724190 0.78 ALDH1A1 (0.54) ADORA3ADORA2AADORA1MAPTCHEK2
SCHEMBL724565 0.77 MAPT (0.44) CNR2MAPTNPC1RAB9A
SCHEMBL1313241 0.77 ERCC1 (0.50) HSD17B10NPC1RAB9ATNKS
SCHEMBL786633 0.76 ALDH1A1 (0.46) CNR2ADORA3ADORA2AADORA1MAPT
SCHEMBL724208 0.76 ALDH1A1 (0.48) ADORA3ADORA2AADORA1MAPTCHEK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 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 (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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY CNR2 495/4885ADORA3 1240/4885ADORA2A 991/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CNR2 3924/4885ADORA3 4183/4885ADORA2A 3648/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CNR2 3924/4885ADORA3 4183/4885ADORA2A 3648/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885ADORA3 4183/4885ADORA2A 3648/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885ADORA3 4183/4885ADORA2A 3648/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CNR2 3924/4885ADORA3 4183/4885ADORA2A 3648/4885

“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.