SCHEMBL829942

SCHEMBL829942

CCc1ccc2c(c1)c(-c1cccnc1OC)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.37
SCN9A Q15858 6/20 0.37
SCN5A Q14524 5/20 0.35
PPARG P37231 1/20 0.35
LTB4R Q15722 2/20 0.34
SCN2B O60939 1/20 0.34
SCN1A P35498 1/20 0.34
SCN1B Q07699 1/20 0.34
TP53 P04637 1/20 0.34
CCNT1 O60563 2/20 0.33
CDK9 P50750 2/20 0.33
ROCK2 O75116 2/20 0.33
GPR6 P46095 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL830167 0.85 EDNRB (0.42) EDNRBTP53PTGDR2
SCHEMBL3693786 0.84 EDNRB (0.38) EDNRBTP53ROCK2PTGDR2
SCHEMBL8858776 0.84 SCN9A (0.40) EDNRBSCN9ASCN5ASCN2BSCN1A
SCHEMBL831683 0.83 CYP2C8 (0.38) EDNRBSCN9ASCN5APPARGSCN2B
SCHEMBL862647 0.81 EDNRB (0.41) EDNRBSCN9ASCN5APPARGSCN1A
SCHEMBL831032 0.81 PTGDR2 (0.36) EDNRBSCN9ASCN5ASCN2BSCN1A
SCHEMBL862295 0.80 HDAC1 (0.34) EDNRBSCN9ASCN5ASCN2BSCN1A
SCHEMBL831766 0.78 CYP2C8 (0.38) EDNRBSCN9ASCN5ASCN2BSCN1A
SCHEMBL829588 0.78 PPARG (0.44) EDNRBSCN9APPARGTP53PTGDR2
SCHEMBL14802288 0.78 RXFP1 (0.36) SCN9ASCN5ATP53GPR6

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-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-8143305-B2 2,3-substituted indole derivatives for treating viral infections SCHERING CORPORATION (US) 2012-03-27 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 US disclosed
US-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-02-10 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-20110033417-A1 2,3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS IDO2, IDO1, IRF3 EDNRB 1094/4885SCN9A 3807/4885SCN5A 1398/4885

“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.