SCHEMBL2136362

SCHEMBL2136362

COc1ccc(-c2nc3cc(OC)ccc3s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
RAB9A P51151 2/20 0.71
KDM4E B2RXH2 2/20 0.71
NPC1 O15118 1/20 0.71
PKM P14618 1/20 0.71
HDAC6 Q9UBN7 1/20 0.65
APP P05067 6/20 0.64
SULT1A1 P50225 1/20 0.64
DYRK1A Q13627 4/20 0.62
GLA P06280 1/20 0.61
GAA P10253 1/20 0.61
ILK Q13418 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
MAPT P10636 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL12639217 0.93 SMN1; SMN2 (0.71) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL1986466 0.91 APP (0.79) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL4283052 0.91 APP (0.79) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL14230794 0.90 SULT1A1 (0.72) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL26686891 0.88 APP (0.59) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL12639216 0.88 SULT1A1 (0.70) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL12470591 0.88 KDM4E (0.64) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL3203103 0.88 KDM4E (0.74) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL4805108 0.88 AHR (0.71) SMN1; SMN2RAB9AKDM4ENPC1PKM
SCHEMBL12509569 0.87 DYRK1A (0.57) SMN1; SMN2RAB9AKDM4ENPC1PKM

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 7 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
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 SMN1; SMN2 4152/4885RAB9A 2254/4885KDM4E 3428/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR SMN1; SMN2 4152/4885RAB9A 2254/4885KDM4E 3428/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR SMN1; SMN2 4152/4885RAB9A 2254/4885KDM4E 3428/4885

“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.