SCHEMBL646094

SCHEMBL646094

Brc1ccc2[c]cccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
AHR P35869 2/20 0.33
NR4A2 P43354 1/20 0.33
CYP19A1 P11511 1/20 0.32
BACE1 P56817 1/20 0.31
NOS1 P29475 1/20 0.31
METAP2 P50579 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL644725 0.83 CYP2A6 (0.48) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL2318276 0.77 ESR1 (0.35) CYP1A2CYP2C19CYP19A1CYP11B1CYP11B2
SCHEMBL756551 0.76 CYP2A6 (0.32) CYP2A6
SCHEMBL644419 0.76 CYP2A6 (0.50) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL645977 0.74 CYP2A6 (0.48) CYP2A6KDM4EALDH1A1CYP1A2BACE1
SCHEMBL8355321 0.74 NOS1 (0.31) NOS1
SCHEMBL1296866 0.74 CYP1A2 (0.48) MEN1ALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL643603 0.74 CYP1A2 (0.48) CYP2A6KDM4EALDH1A1CYP1A2AHR
SCHEMBL2252898 0.74 ALDH1A1 (0.48) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL1921671 0.74 ALDH1A1 (0.32) CYP2A6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US claimed
US-20120135992-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2012-05-31 US claimed
EP-2451806-A2 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS University of Greenwich (GB) 2012-05-16 EP claimed
WO-2011004195-A2 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS UNIVERSITY OF GREENWICH (GB) 2011-01-13 WO claimed
US-6159973-A Aromatic amides, their preparation process, the compositions containing them and their use as pesticides HOECHST SCHERING AGREVO S.A. (FR) 2000-12-12 US claimed
EP-0805795-B1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-08-23 EP claimed
US-6013837-A E.G.,4-(2-(3,4,5-TRICHLORO PHENYL) 1-FLUOROCYCLOPROPYL)-N-(2-METHYL PHENYL)BENZAMIDE; PARTICULAR USE AGAINST ARTHROPODS, HELMINTHS AND MOLLUSCS; INSECTICIDES; ACARICIDES; NEMATICIDES; PHOTOSTABILITY; NONTOXIC TO MAMMALS HOECHST MARION ROUSSEL (FR) 2000-01-11 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-4036955-A TREATMENT OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-07-19 US claimed
EP-4392420-A1 HPK1 DEGRADERS, COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-07-03 EP disclosed
WO-2023245327-A1 MULTIPLE KINASE DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO disclosed
WO-2023246490-A1 MULTIPLE KINASE DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO 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-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-20120135992-A1 CYCLIC TRIAZO SODIUM CHANNEL BLOCKERS SCN5A, SCN1B, KCNH2 CYP2A6 1988/4885KDM4E 3416/4885MEN1 1228/4885

“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.