SCHEMBL15045587

SCHEMBL15045587

Cc1ccc2c(c1)C(=O)c1nc(C)[nH]c1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP8 P40818 2/20 0.49
USP7 Q93009 2/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ELANE P08246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
NQO1 P15559 1/20 0.36
POR P16435 1/20 0.36
LCK P06239 1/20 0.36
GAA P10253 1/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL12327994 0.81 LMNA (0.42) USP8USP7SMN1; SMN2KDM4EHPGD
SCHEMBL16887795 0.77 NQO1 (0.42) USP8USP7MAOAMAOBELANE
SCHEMBL24499470 0.74 NPC1 (0.51) SMN1; SMN2RAB9AKDM4EHPGDCA9
SCHEMBL15045588 0.74 SMN1; SMN2 (0.34) USP8USP7SMN1; SMN2MAPTRAB9A
SCHEMBL7816679 0.74 IDO1 (0.55) USP8USP7SMN1; SMN2RAB9AKDM4E
SCHEMBL15045564 0.70 ELANE (0.55) USP8USP7MAOAMAOBELANE
SCHEMBL12110126 0.69 KMT2A (0.67) USP8USP7MAOAMAOBELANE
SCHEMBL11348371 0.69 MAOA (0.50) USP8USP7MAOAMAOBELANE
SCHEMBL182959 0.69 ELANE (0.86) USP8USP7MAOAMAOBELANE
SCHEMBL583153 0.69 ELANE (0.86) USP8USP7MAOAMAOBELANE

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 3 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-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 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 (2 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 USP8 1318/4885USP7 2377/4885MAOA 783/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L USP8 1098/4885USP7 1952/4885MAOA 2432/4885

“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.