SCHEMBL91592

SCHEMBL91592

COc1cc(C)c(F)cc1NC(=O)c1coc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 1/20 0.60
MAOB P27338 11/20 0.52
ADORA2B P29275 2/20 0.52
MAOA P21397 1/20 0.50
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46

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
SCHEMBL91597 0.87 MAOB (0.57) MAPTRAB9ANPC1MAOBADORA2B
SCHEMBL14771982 0.87 MAOB (0.57) MAPTRAB9ANPC1MAOBADORA2B
SCHEMBL91531 0.84 MAOB (0.54) MAPTRAB9ANPC1MAOBADORA2B
SCHEMBL91537 0.83 MAPT (0.64) MAPTRAB9ANPC1MAOBADORA2B
SCHEMBL92267 0.81 KMT2A (0.55) MAPTRAB9ANPC1KMT2AALDH1A1
SCHEMBL92212 0.79 HIF1A (0.68) MAPTTP53
SCHEMBL91670 0.78 PIN1 (0.53) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL92355 0.78 KMT2A (0.67) MAPTRAB9ANPC1KMT2AALDH1A1
SCHEMBL92337 0.77 BRPF1 (0.50) MAPTRAB9ANPC1MAOBKMT2A
SCHEMBL91538 0.75 MAOB (0.63) MAPTRAB9ANPC1MAOBMAOA

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 MAPT 4775/4885RAB9A 1503/4885NPC1 680/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885RAB9A 1491/4885NPC1 551/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885RAB9A 1187/4885NPC1 624/4885

“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.