SCHEMBL9979200

SCHEMBL9979200

Clc1cccc(-c2ccnnn2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.46
NOTUM Q6P988 1/20 0.46
IDO1 P14902 1/20 0.46
CNR1 P21554 2/20 0.44
P2RX7 Q99572 6/20 0.40
CYP2D6 P10635 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SCN4A P35499 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
PDE3A Q14432 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
NUDT1 P36639 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
SCHEMBL28301379 0.85 IDO1 (0.44) CNR2NOTUMIDO1
SCHEMBL20472405 0.79 CNR2 (0.47) CNR2NOTUMIDO1CNR1P2RX7
SCHEMBL16731967 0.78 ALDH1A1 (0.32) BLM
SCHEMBL4446563 0.75 ALPL (0.30)
SCHEMBL6017122 0.73 ALDH1A1 (0.52) IDO1
SCHEMBL5084514 0.73 CNR2 (0.57) CNR2NOTUMIDO1CNR1P2RX7
SCHEMBL2985787 0.73
SCHEMBL14051355 0.71 CNR2 (0.52) CNR2NOTUMIDO1CNR1P2RX7
SCHEMBL27599028 0.70 IDO1 (0.46) CNR2NOTUMIDO1CNR1P2RX7
SCHEMBL1534219 0.70 HPGD (0.39) IDO1CYP2D6MAOAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60260503-A None JP disclosed
US-9761811-B2 Organic electroluminescence element and material for organic electroluminescence element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-09-12 US disclosed
EP-2869356-B1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL & SUMIKIN CHEM CO (JP) 2016-10-12 EP disclosed
US-20150249217-A1 TRIAZINE-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-09-03 US disclosed
US-20150188056-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2015-07-02 US disclosed
EP-2869356-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2015-05-06 EP disclosed
CN-102791659-A Material for electronic devices MERCK PATENT GMBH 2012-11-21 CN disclosed
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-08-30 US disclosed
US-20110306080-A1 DETERMINATION OF LAMOTRIGINE BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVESTMENTS INCORPORATED 2011-12-15 US disclosed
JP-S60260503-A METHOD OF REDUCING CHEMICAL INJURY OF HERBICIDE AND COMPOSITION THEREFOR NISSAN CHEM IND LTD 1985-12-23 JP 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 (3 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-20150249217-A1 TRIAZINE-CONTAINING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING THE SAME IKZF2, POU5F1, ETV6 CNR2 3274/4885NOTUM 2671/4885IDO1 1876/4885
US-20120217449-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, DDT, ERCC1 CNR2 4430/4885NOTUM 2950/4885IDO1 2349/4885
US-20150188056-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT LEF1, EPB41, ARL1 CNR2 3716/4885NOTUM 4235/4885IDO1 2398/4885

“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.