SCHEMBL92220

SCHEMBL92220

COc1cc(C)ccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
KCNMA1 Q12791 1/20 0.57
ALDH1A1 P00352 1/20 0.56
GAA P10253 2/20 0.56
TP53 P04637 1/20 0.56
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.55
GFER P55789 1/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
EPHX1 P07099 1/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL92222 0.84 RAB9A (0.65) RAB9ANPC1GAATP53KMT2A
SCHEMBL12172757 0.83 KMT2A (0.72) RAB9ANPC1KCNMA1ALDH1A1GAA
SCHEMBL27364081 0.82 KMT2A (0.65) RAB9ANPC1ALDH1A1KMT2AGFER
SCHEMBL92266 0.82 RAB9A (0.62) RAB9ANPC1ALDH1A1GAAKMT2A
SCHEMBL92280 0.82 RAB9A (0.72) RAB9ANPC1ALDH1A1GAAKMT2A
SCHEMBL92267 0.81 KMT2A (0.55) RAB9ANPC1ALDH1A1GAATP53
SCHEMBL91568 0.81 EPHX1 (0.49) RAB9ANPC1ALDH1A1GAATP53
SCHEMBL92372 0.79 MEN1 (0.76) RAB9ANPC1KCNMA1ALDH1A1GAA
SCHEMBL91765 0.79 PIN1 (0.53) RAB9ANPC1KCNMA1ALDH1A1GAA
SCHEMBL91537 0.79 MAPT (0.64) RAB9ANPC1KCNMA1ALDH1A1GAA

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 1503/4885NPC1 680/4885KCNMA1 218/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885NPC1 551/4885KCNMA1 248/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885NPC1 624/4885KCNMA1 183/4885

“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.