SCHEMBL2135773

SCHEMBL2135773

NNc1nc2ccc(Cl)cc2o1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.61
S1PR3 Q99500 12/20 0.60
FBP1 P09467 2/20 0.55
PSMB8 P28062 1/20 0.51
PSMB5 P28074 1/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
S1PR1 P21453 5/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
IDO1 P14902 1/20 0.44

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
SCHEMBL17469473 0.82 S1PR3 (0.60) PIK3CGS1PR3FBP1PSMB8PSMB5
SCHEMBL18028787 0.82 S1PR3 (0.60) PIK3CGS1PR3FBP1PSMB8PSMB5
SCHEMBL23933083 0.79 S1PR3 (0.54) PIK3CGS1PR3FBP1PSMB8PSMB5
SCHEMBL2134640 0.79 MAPT (0.54) S1PR3FBP1MAPTRAB9AS1PR1
SCHEMBL17465715 0.78 S1PR3 (0.56) PIK3CGS1PR3FBP1PSMB8PSMB5
SCHEMBL2137199 0.78 HDAC7 (0.45) PIK3CGS1PR3FBP1MAPTRAB9A
SCHEMBL17664125 0.76 S1PR3 (1.00) S1PR3S1PR1
SCHEMBL21154138 0.76 S1PR3 (0.54) PIK3CGS1PR3FBP1PSMB8PSMB5
SCHEMBL19899789 0.76 S1PR3 (0.50) PIK3CGS1PR3FBP1PSMB8PSMB5
SCHEMBL9896463 0.76 PIK3CG (1.00) PIK3CGS1PR3FBP1PSMB8PSMB5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 CN disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR PIK3CG 2501/4885S1PR3 3035/4885FBP1 1850/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR PIK3CG 2501/4885S1PR3 3035/4885FBP1 1850/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR PIK3CG 2501/4885S1PR3 3035/4885FBP1 1850/4885

“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.