SCHEMBL16709293

SCHEMBL16709293

Cc1cnc2sc(COC(C)(C)C)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 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
SCHEMBL17207548 0.84 TRPV1 (0.31) TRPV1
SCHEMBL16709294 0.84 LMNA (0.31) TRPV1RAB9AL3MBTL1
SCHEMBL23862126 0.82 POLB (0.33) TRPV1RAB9AL3MBTL1
SCHEMBL12930114 0.80 MAPT (0.41) NPC1MAPTHTTRAB9AL3MBTL1
SCHEMBL16709292 0.80 TRPV1 (0.33) TRPV1
SCHEMBL12031053 0.78 NPC1 (0.48) NPC1RAB9ACYP1A2
SCHEMBL12930105 0.76 IKBKB (0.36) TRPV1NPC1RAB9ACYP1A2
SCHEMBL16709320 0.76 CYP1A2 (0.34) NPC1RAB9ACYP1A2
SCHEMBL20312891 0.76
SCHEMBL16711657 0.71 MKNK1 (0.33) NPC1MAPTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179225-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-06-28 US disclosed
US-20160367531-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-12-22 US disclosed
US-9458150-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-10-04 US disclosed
US-20150307517-A1 ANTIMICROBIAL AGENTS TAXIS PHARMACEUTICALS, INC. (US) 2015-10-29 US disclosed
US-20150133465-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-05-14 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 (4 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-20160367531-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 TRPV1 1876/4885NPC1 516/4885MAPT 4729/4885
US-20150133465-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 TRPV1 1876/4885NPC1 516/4885MAPT 4729/4885
US-20150307517-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 TRPV1 1876/4885NPC1 516/4885MAPT 4729/4885
US-20180179225-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 TRPV1 1876/4885NPC1 516/4885MAPT 4729/4885

“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.