SCHEMBL15713809

SCHEMBL15713809

CCCCOCc1nc2cc(C(=O)C(F)(F)F)cnc2s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
RARB P10826 2/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
PPARD Q03181 1/20 0.32
RARA P10276 1/20 0.32
RARG P13631 1/20 0.32
MLYCD O95822 1/20 0.32
RXRA P19793 2/20 0.32
CES2 O00748 1/20 0.32
NOS1 P29475 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL15713810 0.72 NOS1 (0.32) NOS1
SCHEMBL2756796 0.65 NPC1 (0.59) L3MBTL1
SCHEMBL15000339 0.63 TP53 (0.58) L3MBTL1RARBMLYCD
SCHEMBL7247487 0.60 TP53 (0.67) RARBMLYCD
SCHEMBL7246449 0.60 TP53 (0.67) RARBMLYCD
SCHEMBL15000394 0.60 TP53 (0.67) RARBMLYCD
SCHEMBL8694683 0.59 MAPT (0.50) L3MBTL1MLYCD
SCHEMBL21104567 0.59 TBXA2R (0.42) L3MBTL1HDAC6
SCHEMBL4456397 0.58 RAB9A (0.40)
SCHEMBL23535342 0.58 CCNE2 (0.44) L3MBTL1

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-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
WO-2014074932-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-15 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 (3 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 L3MBTL1 185/4885RARB 3324/4885PLA2G2D 1107/4885
US-20150133465-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 L3MBTL1 185/4885RARB 3324/4885PLA2G2D 1107/4885
US-20150307517-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 L3MBTL1 185/4885RARB 3324/4885PLA2G2D 1107/4885

“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.