SCHEMBL91538

SCHEMBL91538

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

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.63
RAB9A P51151 2/20 0.59
MAOA P21397 1/20 0.59
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.58
PKM P14618 1/20 0.55
NPC1 O15118 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 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
SCHEMBL91543 0.87 RAB9A (0.64) MAOBRAB9AMAPTTHRBNPC1
SCHEMBL91534 0.87 MAOB (0.60) MAOBRAB9AMAPTTHRBNPC1
SCHEMBL91537 0.85 MAPT (0.64) MAOBRAB9AMAOAMAPTNPC1
SCHEMBL14771982 0.82 MAOB (0.57) MAOBRAB9AMAPTTHRBNPC1
SCHEMBL91597 0.80 MAOB (0.57) MAOBRAB9AMAPTTHRBNPC1
SCHEMBL91556 0.80 MAOB (0.57) MAOBRAB9AMAPTTHRBNPC1
SCHEMBL13581610 0.77 MAPT (0.71) MAOBRAB9AMAOAMAPTPKM
SCHEMBL92222 0.77 RAB9A (0.65) MAOBRAB9AMAOAMAPTPKM
SCHEMBL91531 0.77 MAOB (0.54) MAOBRAB9AMAPTTHRBNPC1
SCHEMBL92287 0.75 SMN1; SMN2 (0.65) MAOBRAB9AMAOASMN1; SMN2

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 2184/4885RAB9A 1503/4885MAOA 776/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAOB 2935/4885RAB9A 1491/4885MAOA 1018/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAOB 3331/4885RAB9A 1187/4885MAOA 1548/4885

“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.