SCHEMBL4801255

SCHEMBL4801255

[CH2]OCc1cc(Br)cc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.56
TACR1 P25103 5/20 0.37
AGXT P21549 2/20 0.35
MAOB P27338 1/20 0.33
ADAM10 O14672 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 1/20 0.31
SOD1 P00441 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
SCHEMBL3862494 0.78 IDO1 (0.61) IDO1TACR1AGXTMAOBADAM10
SCHEMBL514759 0.77 IDO1 (0.64) IDO1AGXTMAOB
SCHEMBL3155758 0.75 IDO1 (0.52) IDO1TACR1AGXTMAOB
SCHEMBL4801258 0.74 IDO1 (0.56) IDO1TACR1AGXTMAOBADAM10
SCHEMBL2095571 0.74 IDO1 (0.58) IDO1TACR1AGXT
SCHEMBL4800547 0.74 IDO1 (0.58) IDO1MAOB
SCHEMBL2281030 0.70 IDO1 (0.52) IDO1TACR1AGXTMAOBMMP2
SCHEMBL2859240 0.69 IDO1 (0.44) IDO1AGXT
SCHEMBL4412388 0.69 IDO1 (0.50) IDO1TACR1AGXTMAOBADAM10
SCHEMBL4799508 0.69 IDO1 (0.32) IDO1AGXTMAOB

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-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 890/4885TACR1 1348/4885AGXT 1246/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 IDO1 446/4885TACR1 2553/4885AGXT 1236/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 912/4885TACR1 1562/4885AGXT 1290/4885

“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.