SCHEMBL1371504

SCHEMBL1371504

CCc1ccc2c[c]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.57
CYP1A2 P05177 1/20 0.57
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
TRPA1 O75762 1/20 0.39
DAO P14920 1/20 0.35
BDKRB2 P30411 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
RIOK2 Q9BVS4 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5748272 0.94 CYP2A6 (0.52) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL5749900 0.94 CYP2A6 (0.52) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL1369929 0.94 CYP2A6 (0.55) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL1369536 0.84 CNR1 (0.41) CYP2A6CYP1A2BDKRB2NPC1RAB9A
SCHEMBL347592 0.82 CYP2A6 (0.80) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL29407167 0.82 CYP2A6 (0.80) CYP2A6CYP1A2AKR1C3AKR1C2TRPA1
SCHEMBL1738967 0.82 CA2 (0.41) CYP2A6CYP1A2AKR1C3AKR1C2
SCHEMBL1740631 0.82 CYP1A2 (0.36) CYP2A6CYP1A2BDKRB2
SCHEMBL989624 0.81 SKP2 (0.43) CYP2A6CYP1A2BDKRB2NPC1RAB9A
SCHEMBL28798280 0.81 HRH3 (0.41) CYP2A6CYP1A2ALDH1A1NOS1NOS2

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4125619-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1978-11-14 US claimed
US-4104392-A N2 -naphthalenesulfonyl-L-argininamides and the pharmaceutically acceptable salts thereof, and antithrombotic compositions and methods employing them MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-08-01 US claimed
US-4096255-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-20 US claimed
US-4073916-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4073914-A THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-14 US claimed
US-4072744-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US claimed
US-4070457-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-24 US claimed
US-4049645-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-20 US claimed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 US claimed
EP-2818462-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMISCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2017-11-08 EP disclosed
CN-107085033-A N phenylnaphthalenes aminated compounds as MALDI matrix application 中国科学院化学研究所 2017-08-22 CN disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP disclosed
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORPORATION (JP) 2015-11-19 US disclosed
US-4072744-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US disclosed
US-4072743-A SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-07 US disclosed
US-4070457-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-24 US disclosed
US-4069317-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-17 US disclosed
US-4049645-A ANTITHROMBOTIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-09-20 US disclosed
US-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 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-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 CYP2A6 3586/4885CYP1A2 1801/4885AKR1C3 2280/4885

“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.