SCHEMBL91549

SCHEMBL91549

Cc1ccc(NC(=O)c2nccc3ccccc23)c(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.62
MAPT P10636 7/20 0.62
NPC1 O15118 6/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 7/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 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
SCHEMBL91551 0.89 RAB9A (0.51) RAB9AMAPTNPC1GAASMN1; SMN2
SCHEMBL91540 0.85 RAB9A (0.55) RAB9AMAPTNPC1NFKB1NFKB2
SCHEMBL91568 0.83 EPHX1 (0.49) RAB9AMAPTNPC1GAASMN1; SMN2
SCHEMBL27578589 0.83 KMT2A (0.44) RAB9AMAPTNPC1NFKB1NFKB2
SCHEMBL14626752 0.83 MAPT (0.47) RAB9AMAPTNPC1NFKB1NFKB2
SCHEMBL2433435 0.81 RAB9A (0.50) RAB9AMAPTNPC1NFKB1NFKB2
SCHEMBL12327918 0.81 MEN1 (0.47) RAB9AMAPTNPC1NFKB1NFKB2
SCHEMBL14491714 0.81 ITGB1 (0.46) RAB9AMAPTNPC1NFKB1NFKB2
SCHEMBL14591892 0.80 MAPT (0.44) RAB9AMAPTNPC1NFKB1NFKB2
SCHEMBL92266 0.80 RAB9A (0.62) RAB9AMAPTNPC1NFKB1NFKB2

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