SCHEMBL10112296

SCHEMBL10112296

Cc1cccnc1-c1ccc(Br)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.64
CYP2A6 P11509 1/20 0.56
CNR2 P34972 1/20 0.46
METAP2 P50579 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIA2 P42262 1/20 0.39
KMT2A Q03164 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
SCHEMBL2477267 0.83 TRPV1 (0.62) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL22921169 0.82 CYP2A6 (0.55) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL13834139 0.82 CYP2A6 (0.63) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL64623 0.81 CYP2A6 (0.68) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL32509667 0.81 CYP2A6 (0.68) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL12817334 0.81 CYP2A6 (0.62) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL10094698 0.80 TRPV1 (0.64) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL3974637 0.80 CYP2A6 (0.56) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL3975427 0.80 CYP2A6 (0.56) TRPV1CYP2A6CNR2METAP2NOS3
SCHEMBL1259263 0.80 CYP2A6 (0.56) TRPV1CYP2A6CNR2METAP2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9722191-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 US disclosed
US-9722191-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 US disclosed
US-9478750-B2 Anthracene derivative and organic electroluminescent element using the same JNC CORPORATION (JP) 2016-10-25 US disclosed
CN-103958471-B Anthracene derivant and use its organic electric field luminescence assembly, electron transport material, display device and lighting device 捷恩智株式会社 2016-08-17 CN disclosed
US-20160043330-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed
US-20160043330-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-02-11 US disclosed
US-20150060808-A1 INDENOPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2015-03-05 US disclosed
US-20150060808-A1 INDENOPYRIDINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2015-03-05 US disclosed
CN-103958471-A Anthracene derivative and organic electroluminescent element using same JNC CORP 2014-07-30 CN disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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 (1 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 TRPV1 1034/4885CYP2A6 991/4885CNR2 1515/4885

“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.