SCHEMBL15045461

SCHEMBL15045461

Cc1cc2c(ccc3c(C)cccc32)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.51
CYP1A2 P05177 5/20 0.50
CYP2A6 P11509 1/20 0.50
GAA P10253 4/20 0.47
RXFP1 Q9HBX9 4/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
KIF11 P52732 2/20 0.44
KDR P35968 1/20 0.43
DAO P14920 1/20 0.42
DDO Q99489 1/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL16892344 0.85 NQO2 (0.53) NQO2CYP1A2CYP2A6GAARXFP1
SCHEMBL29713806 0.84 DAO (0.56) NQO2CYP1A2CYP2A6GAARXFP1
SCHEMBL8230643 0.84 DAO (0.56) NQO2CYP1A2CYP2A6GAARXFP1
SCHEMBL4424885 0.81 NQO2 (0.57) NQO2CYP1A2CYP2A6GAARXFP1
Formaldehyde SCHEMBL28245545 0.78 DAO (0.56) NQO2CYP1A2CYP2A6GAARXFP1
SCHEMBL599477 0.76 CYP1A2 (0.87) CYP1A2CYP2A6ALDH1A1MAPTPOLB
SCHEMBL6705797 0.76 CYP1A2 (0.87) CYP1A2CYP2A6ALDH1A1MAPTPOLB
SCHEMBL6446391 0.74 ALDH1A1 (0.54) NQO2CYP1A2CYP2A6GAARXFP1
SCHEMBL15045468 0.74 MAPT (0.43) NQO2CYP1A2CYP2A6GAARXFP1
SCHEMBL15045465 0.74 ACHE (0.45) NQO2CYP1A2CYP2A6GAARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 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 (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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 NQO2 2390/4885CYP1A2 364/4885CYP2A6 256/4885

“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.