SCHEMBL4567010

SCHEMBL4567010

Cc1ccc(Br)c(-c2nc(COc3ccc(F)c(C(N)=O)c3F)sc2Br)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRE P23469 2/20 0.35
PTGER1 P34995 1/20 0.33
CTSA P10619 2/20 0.32
TNKS2 Q9H2K2 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PPARD Q03181 2/20 0.31
STING1 Q86WV6 1/20 0.31
KDR P35968 2/20 0.31
POLB P06746 1/20 0.31
PDGFRB P09619 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
SCHEMBL201593 0.89 PPARD (0.38) PPARDPOLB
SCHEMBL4567006 0.87 PPARD (0.36) PPARDKDRPDGFRB
SCHEMBL2706591 0.85 PPARD (0.39) PTPRECTSAPPARD
SCHEMBL2707247 0.85 NPC1 (0.36) PTGER1CTSANPC1RAB9APPARD
SCHEMBL4567009 0.84 MEN1 (0.40) PTPREPTGER1NPC1RAB9AALDH1A1
SCHEMBL16886207 0.81 PTGDR2 (0.35) NPC1RAB9APPARD
SCHEMBL2704709 0.80 PTGDR2 (0.43) FFAR4NPC1RAB9APPARD
SCHEMBL202352 0.79 PPARD (0.46) PPARD
SCHEMBL2707199 0.79 NPC1 (0.46) PTPRENPC1RAB9AHPGD
SCHEMBL204150 0.79 NPC1 (0.46) PTPRENPC1RAB9AALDH1A1HPGD

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 PTPRE 2655/4885PTGER1 2172/4885CTSA 2069/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PTPRE 3431/4885PTGER1 998/4885CTSA 2210/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 PTPRE 2612/4885PTGER1 1921/4885CTSA 2181/4885

“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.