SCHEMBL73365

SCHEMBL73365

O=C(O)Cc1cc(Cl)c(NC(=O)c2coc3ccccc23)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
MAOB P27338 16/20 0.49
ADORA2B P29275 3/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MAOA P21397 2/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL71963 0.86 MAOB (0.56) PTGDR2MAOBADORA2BMAPTNPC1
SCHEMBL72182 0.79 MAOB (0.53) PTGDR2MAOBADORA2BMAPTNPC1
SCHEMBL70950 0.77 MAOB (0.50) PTGDR2MAOBADORA2BMAPTNPC1
SCHEMBL72046 0.76 PTGDR2 (0.51) PTGDR2MAOBMAPTNPC1RAB9A
SCHEMBL91556 0.71 MAOB (0.57) MAOBADORA2BMAPTNPC1RAB9A
SCHEMBL91543 0.71 RAB9A (0.64) MAOBMAPTNPC1RAB9ACA12
SCHEMBL13768209 0.69 SCD (0.51) MAPTNPC1RAB9AALDH1A1
SCHEMBL91531 0.68 MAOB (0.54) MAOBADORA2BMAPTNPC1RAB9A
SCHEMBL73880 0.68 MAOB (0.47) PTGDR2MAOBADORA2BMAPTNPC1
SCHEMBL11732295 0.68 MAOB (0.54) MAOBADORA2BMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PTGDR2 458/4885MAOB 2184/4885ADORA2B 1052/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 PTGDR2 457/4885MAOB 2935/4885ADORA2B 1432/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PTGDR2 482/4885MAOB 3331/4885ADORA2B 1371/4885

“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.