SCHEMBL2137227

SCHEMBL2137227

NNc1nc2cc(OCc3ccccc3)ccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
IDO1 P14902 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ALOX5 P09917 1/20 0.48
SCD O00767 1/20 0.47
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
PDE10A Q9Y233 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
CSF1R P07333 1/20 0.43
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
CSNK1D P48730 1/20 0.43

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
SCHEMBL2140172 0.80 CYP3A4 (0.56) CYP3A4NPC1RAB9ACA12CA1
SCHEMBL3239060 0.80 PDE10A (0.67) CYP3A4NPC1RAB9ACA12CA1
SCHEMBL12997499 0.78 NPC1 (0.62) NPC1RAB9ASCDMAPTHPGD
SCHEMBL3237222 0.77 CYP3A4 (0.53) CYP3A4NPC1RAB9ACA12CA1
SCHEMBL14807096 0.77 SCD (0.69) NPC1RAB9ASCDMAPT
SCHEMBL27594907 0.75 NPC1 (0.51) CYP3A4NPC1RAB9ACA12CA1
SCHEMBL12212267 0.73 HDAC6 (0.47) CYP3A4NPC1RAB9ACA12CA1
SCHEMBL8396881 0.72 CYP3A4 (0.50) CYP3A4NPC1RAB9ACA12CA1
SCHEMBL11414056 0.71 CYP3A4 (1.00) CYP3A4NPC1RAB9ACA12CA1
SCHEMBL3156910 0.70 ALOX5 (0.58) CYP3A4RAB9ACA12CA1CA2

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 9 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
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 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 CYP3A4 47/4885NPC1 4102/4885RAB9A 2254/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR CYP3A4 47/4885NPC1 4102/4885RAB9A 2254/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR CYP3A4 47/4885NPC1 4102/4885RAB9A 2254/4885

“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.