SCHEMBL786798

SCHEMBL786798

O=C(c1ccccc1)n1ccnc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.50
FDPS P14324 1/20 0.49
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PLAA Q9Y263 1/20 0.45
ALPG P10696 1/20 0.44
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A7 Q99884 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TMIGD3 P0DMS9 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 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
SCHEMBL725309 0.85 KMT2A (0.53) TSHRLMNASLC6A7ALDH1A1KMT2A
SCHEMBL11078694 0.84 ESR1 (0.54) ESR1PLAAALPGKDM4EALDH1A1
SCHEMBL28848047 0.84 ESR1 (0.54) ESR1PLAAALPGKDM4EALDH1A1
SCHEMBL11569087 0.83 FDPS (0.47) ESR1FDPSTSHRRAB9AL3MBTL1
SCHEMBL10408730 0.82 FDPS (0.51) FDPSTSHRRAB9AL3MBTL1KDM4E
SCHEMBL10782342 0.82 ESR1 (0.50) ESR1FDPSL3MBTL1PLAAALPG
SCHEMBL10668273 0.81 ESR1 (0.51) ESR1PLAAALPGLMNAALDH1A1
SCHEMBL8013500 0.80 ESR1 (0.44) ESR1TSHRPLAAALPGKDM4E
SCHEMBL725082 0.79 THRB (0.53) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL616402 0.79 ESR1 (0.43) ESR1TSHRPLAAALPGOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986838-A Resin composition 南亚塑胶工业股份有限公司 2024-05-07 CN 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-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
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 ESR1 1342/4885FDPS 1884/4885TSHR 4440/4885
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 ESR1 3985/4885FDPS 3163/4885TSHR 2843/4885
US-10022356-B2 Compounds for treatment of cancer BRAF, NRAS, RAF1 ESR1 3985/4885FDPS 3163/4885TSHR 2843/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ESR1 1342/4885FDPS 1884/4885TSHR 4440/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 ESR1 1342/4885FDPS 1884/4885TSHR 4440/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ESR1 1342/4885FDPS 1884/4885TSHR 4440/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 ESR1 1342/4885FDPS 1884/4885TSHR 4440/4885

“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.