SCHEMBL4567016

SCHEMBL4567016

Cc1ccc(-c2ccc3sc(COc4ccc(F)c(C(N)=O)c4F)nc3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
EPHX2 P34913 6/20 0.39
ALOX5 P09917 5/20 0.39
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARD Q03181 2/20 0.37
ROCK2 O75116 3/20 0.36
FFAR1 O14842 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL201165 0.92 NPC1 (0.44) RAB9ANPC1EPHX2ALOX5MAPT
SCHEMBL2707199 0.92 NPC1 (0.46) RAB9ANPC1EPHX2ALOX5MAPT
SCHEMBL2706609 0.92 NPC1 (0.43) RAB9ANPC1EPHX2ALOX5MAPT
SCHEMBL2704597 0.91 NPC1 (0.48) RAB9ANPC1EPHX2ALOX5MAPT
SCHEMBL2707226 0.91 EPHX2 (0.44) RAB9ANPC1EPHX2ALOX5PPARD
SCHEMBL201355 0.91 POLB (0.42) RAB9ANPC1MAPTPKMSMN1; SMN2
SCHEMBL201932 0.90 NPC1 (0.43) RAB9ANPC1EPHX2ROCK2LIPG
SCHEMBL202904 0.89 NPC1 (0.45) RAB9ANPC1EPHX2ALOX5MAPT
SCHEMBL201522 0.86 NPC1 (0.42) RAB9ANPC1EPHX2ALOX5MAPT
SCHEMBL204150 0.86 NPC1 (0.46) RAB9ANPC1EPHX2ALOX5MAPT

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-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 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 (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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 RAB9A 1213/4885NPC1 2815/4885EPHX2 2476/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 RAB9A 2799/4885NPC1 1400/4885EPHX2 1735/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 RAB9A 1340/4885NPC1 1786/4885EPHX2 2370/4885

“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.