SCHEMBL357048

SCHEMBL357048

Cn1c(-c2cc[n+]([O-])cc2)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
S1PR1 P21453 1/20 0.37
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MET P08581 3/20 0.33
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
RAB9A P51151 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 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
SCHEMBL355251 0.83 POLB (0.46) POLBGRIN1GRIN2BALDH1A1RAB9A
SCHEMBL10252567 0.83 BRD4 (0.37) KDM4EALDH1A1RAB9AMEN1NPC1
SCHEMBL10275170 0.82 POLB (0.42) POLBMETPTGS2PTGS1
SCHEMBL31141582 0.81 POLB (0.48) POLBGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL167798 0.80 CA12 (0.44) POLBS1PR1KDM4EALDH1A1MEN1
SCHEMBL356746 0.78 POLB (0.43) POLBS1PR1ALDH1A1PTGS2PTGS1
SCHEMBL28695285 0.78 CYP11B2 (0.52) POLBGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL10284530 0.78 SYK (0.44) POLBS1PR1GRIN1GRIN2BKDM4E
SCHEMBL10284676 0.75 POLB (0.40) POLBGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL18136193 0.75 POLB (0.52) POLBGRIN1GRIN2BKDM4EALDH1A1

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 4724/4885S1PR1 2765/4885GRIN1 1135/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 POLB 4724/4885S1PR1 2765/4885GRIN1 1135/4885

“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.