SCHEMBL91543

SCHEMBL91543

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
MAOB P27338 16/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA5A P35218 1/20 0.58
CA7 P43166 1/20 0.58
CA5B Q9Y2D0 1/20 0.58
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
THRB P10828 1/20 0.50
F12 P00748 1/20 0.49

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) RAB9AMAOBMAPTNPC1THRB
SCHEMBL91556 0.85 MAOB (0.57) RAB9AMAOBCA12CA1CA2
SCHEMBL91534 0.85 MAOB (0.60) RAB9AMAOBCA12CA1CA2
SCHEMBL91537 0.83 MAPT (0.64) RAB9AMAOBMAPTNPC1
SCHEMBL91531 0.82 MAOB (0.54) RAB9AMAOBCA12CA1CA2
SCHEMBL71963 0.81 MAOB (0.56) RAB9AMAOBCA12CA1CA2
SCHEMBL92280 0.78 RAB9A (0.72) RAB9AMAPTNPC1F12
SCHEMBL92286 0.77 HIF1A (0.73) RAB9A
SCHEMBL72182 0.76 MAOB (0.53) RAB9AMAOBCA12CA1CA2
SCHEMBL73880 0.76 MAOB (0.47) RAB9AMAOBCA12CA1CA2

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 RAB9A 1503/4885MAOB 2184/4885CA12 2835/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885MAOB 2935/4885CA12 2720/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885MAOB 3331/4885CA12 2851/4885

“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.