SCHEMBL2707340

SCHEMBL2707340

Cc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
EPHX2 P34913 6/20 0.35
IKBKB O14920 1/20 0.35
ALOX5 P09917 5/20 0.35
TNKS2 Q9H2K2 1/20 0.34
PTPRE P23469 1/20 0.34
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL25999362 0.90 NPC1 (0.39) NPC1RAB9AEPHX2ALOX5TNKS2
SCHEMBL2706605 0.89 NPC1 (0.39) NPC1RAB9AEPHX2ALOX5PTPRE
SCHEMBL12433324 0.88 NPC1 (0.38) NPC1RAB9AEPHX2ALOX5TNKS2
SCHEMBL2704989 0.88 NPC1 (0.38) NPC1RAB9AEPHX2ALOX5TNKS2
SCHEMBL15713807 0.87 NPC1 (0.36) NPC1RAB9AEPHX2ALOX5TNKS2
SCHEMBL13732770 0.87 NPC1 (0.36) NPC1RAB9AEPHX2ALOX5TNKS2
SCHEMBL2707355 0.86 NPC1 (0.38) NPC1RAB9AEPHX2ALOX5TNKS2
SCHEMBL15690506 0.86 KDM4E (0.38) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2704987 0.85 NPC1 (0.41) NPC1RAB9AEPHX2ALOX5
SCHEMBL2707199 0.84 NPC1 (0.46) NPC1RAB9AEPHX2ALOX5PTPRE

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 8 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
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 WO 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 NPC1 516/4885RAB9A 2057/4885EPHX2 4031/4885
US-20150133465-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NPC1 516/4885RAB9A 2057/4885EPHX2 4031/4885
US-20150307517-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NPC1 516/4885RAB9A 2057/4885EPHX2 4031/4885
US-20180179225-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 NPC1 516/4885RAB9A 2057/4885EPHX2 4031/4885

“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.