SCHEMBL15045485

SCHEMBL15045485

COC(=O)NC(c1ccccc1)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
CYP2C9 P11712 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
TSHR P16473 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
OPRM1 P35372 1/20 0.43
ALDH1A1 P00352 2/20 0.42
OPRK1 P41145 1/20 0.41
PRSS1 P07477 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
SCHEMBL13132826 1.00 HTT (0.54) HTTKMT2AMAPTCYP2C9CYP3A4
SCHEMBL9607542 0.86 GABRB1 (0.57) HTTMAPTGABRB1GABRB2ATM
SCHEMBL9607543 0.86 GABRB1 (0.57) HTTMAPTGABRB1GABRB2ATM
SCHEMBL12965965 0.85 HTT (0.54) HTTKMT2AMAPTCYP2C9CYP3A4
SCHEMBL11256205 0.84 HTT (0.53) HTTKMT2AMAPTCYP2C9CYP3A4
SCHEMBL14663976 0.81 LMNA (0.46) HTTKMT2ACYP2C19CYP1A2ATM
SCHEMBL14663948 0.81 LMNA (0.46) HTTKMT2ACYP2C19CYP1A2ATM
SCHEMBL16965151 0.80 LMNA (0.53) HTTKMT2AMAPTGAAATM
SCHEMBL16965677 0.80 LMNA (0.53) HTTKMT2AMAPTGAAATM
SCHEMBL16965512 0.80 LMNA (0.53) HTTKMT2AMAPTGAAATM

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 4 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-9139569-B2 Fused tricyclic aryl compounds useful for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2015-09-22 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 HTT 511/4885KMT2A 1061/4885MAPT 1720/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L HTT 728/4885KMT2A 1933/4885MAPT 1146/4885

“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.