SCHEMBL13395366

SCHEMBL13395366

O=C(NC1CC1)c1ccc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.33
MAPT P10636 3/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 1/20 0.31
SCN9A Q15858 3/20 0.31
BRD4 O60885 1/20 0.30
SCN5A Q14524 2/20 0.30
SCN2B O60939 1/20 0.30
SCN1A P35498 1/20 0.30
SCN1B Q07699 1/20 0.30
MAPK14 Q16539 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDR P35968 1/20 0.30
SMYD3 Q9H7B4 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
SCHEMBL13395367 0.95 CYP2C8 (0.35) CYP2C8SCN9ASCN5ASCN2BSCN1A
SCHEMBL13395337 0.93 CYP2C8 (0.35) CYP2C8MAPTPOLBLMNASCN9A
SCHEMBL13395316 0.92 CYP2C8 (0.34) CYP2C8
SCHEMBL13395267 0.91 CYP2C8 (0.35) CYP2C8SCN9ASCN5ASCN2BSCN1A
SCHEMBL13395222 0.90 CYP2C8 (0.41) CYP2C8MAPTPOLBLMNABRD4
SCHEMBL13395251 0.89 KMT2A (0.38) CYP2C8SCN9ASCN5A
SCHEMBL13395315 0.88 CYP2C8 (0.34) CYP2C8
SCHEMBL13395265 0.88 CYP2C8 (0.35) CYP2C8SCN9ASCN5ASCN2BSCN1A
SCHEMBL13395341 0.87 SCN9A (0.34) CYP2C8SCN9ASCN5A
SCHEMBL831384 0.85 CYP2C8 (0.47) CYP2C8MAPTPOLBLMNASCN9A

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-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-8557848-B2 4,5-ring annulated indole derivatives for treating or preventing of HCV and related viral infections MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 US disclosed
US-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION 2010-04-22 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-20100098661-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L CYP2C8 185/4885MAPT 3449/4885POLB 4638/4885

“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.