SCHEMBL356746

SCHEMBL356746

CCS(=O)(=O)c1c[n+]([O-])ccc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
DDR1 Q08345 7/20 0.33
RORC P51449 2/20 0.33
PTGS2 P35354 3/20 0.32
PDE2A O00408 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGS1 P23219 1/20 0.32
S1PR1 P21453 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL10249372 0.86 BRD4 (0.34) RORCGAAMAPT
SCHEMBL10280701 0.85 POLB (0.46) POLBDDR1PDE2AS1PR1
SCHEMBL15412012 0.85 POLB (0.46) POLBDDR1PTGS2PDE2AALDH1A1
SCHEMBL10275170 0.84 POLB (0.42) POLBPTGS2PDE2APTGS1
SCHEMBL355701 0.84 POLB (0.45) POLBDDR1PTGS2PDE2APTGS1
SCHEMBL10280987 0.84 POLB (0.45) POLBDDR1RORCPDE2A
SCHEMBL15863356 0.83 POLB (0.43) POLBDDR1RORCPDE2ALMNA
SCHEMBL10281172 0.83 POLB (0.44) POLBDDR1ALDH1A1LMNAHTT
SCHEMBL10281000 0.83 POLB (0.44) POLBDDR1PDE2A
SCHEMBL15862628 0.82 POLB (0.45) POLBDDR1RORCS1PR1MEN1

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
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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 (2 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885DDR1 3993/4885RORC 1366/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885DDR1 3993/4885RORC 1366/4885

“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.