SCHEMBL91534

SCHEMBL91534

Cc1ccc(NC(=O)c2coc3ccccc23)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.60
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA4 P22748 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
MAPT P10636 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL91538 0.87 MAOB (0.63) MAOBMAPTNPC1RAB9ATHRB
SCHEMBL91543 0.85 RAB9A (0.64) MAOBCA12CA1CA2CA4
SCHEMBL91537 0.83 MAPT (0.64) MAOBMAPTNPC1RAB9AGAA
SCHEMBL28701891 0.78 F10 (0.66) MAPTNPC1RAB9AGAANFKB1
SCHEMBL92266 0.78 RAB9A (0.62) MAPTNPC1RAB9AGAANFKB1
SCHEMBL92201 0.77 HIF1A (0.58) MAPTNPC1RAB9AGAANFKB1
SCHEMBL10273857 0.75 NPC1 (0.54) MAOBMAPTNPC1RAB9AGAA
SCHEMBL91597 0.75 MAOB (0.57) MAOBCA12CA1CA2CA4
SCHEMBL14771982 0.75 MAOB (0.57) MAOBCA12CA1CA2CA4
SCHEMBL91651 0.75 RAB9A (0.56) MAOBMAPTNPC1RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MAOB 2184/4885CA12 2835/4885CA1 2306/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAOB 2935/4885CA12 2720/4885CA1 2326/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAOB 3331/4885CA12 2851/4885CA1 1931/4885

“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.