SCHEMBL91537

SCHEMBL91537

COc1cc(C)ccc1NC(=O)c1coc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MAOB P27338 9/20 0.55
ADORA2B P29275 2/20 0.55
MAOA P21397 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
KCNMA1 Q12791 1/20 0.51
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.50
EPHX1 P07099 1/20 0.50
POLB P06746 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 0.85 MAOB (0.63) MAPTNPC1RAB9AMAOBMAOA
SCHEMBL91534 0.83 MAOB (0.60) MAPTNPC1RAB9AMAOBSMN1; SMN2
SCHEMBL91543 0.83 RAB9A (0.64) MAPTNPC1RAB9AMAOB
SCHEMBL91592 0.83 MAPT (0.60) MAPTNPC1RAB9AMAOBADORA2B
SCHEMBL92220 0.79 RAB9A (0.59) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL92253 0.78 HIF1A (0.76) MAPTMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL12172757 0.77 KMT2A (0.72) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL91765 0.76 PIN1 (0.53) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL92336 0.76 MEN1 (0.55) MAPTNPC1RAB9AMAOBMEN1
SCHEMBL92372 0.76 MEN1 (0.76) MAPTNPC1RAB9AMEN1KMT2A

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

“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.