SCHEMBL92222

SCHEMBL92222

Cc1ccc(NC(=O)c2cccc3ccccc23)c(C)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
NPC1 O15118 2/20 0.65
MAPT P10636 3/20 0.63
PKM P14618 1/20 0.63
KMT2A Q03164 4/20 0.60
POLB P06746 3/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
GFER P55789 1/20 0.59
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.56
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.54
EP300 Q09472 1/20 0.54
PRMT1 Q99873 1/20 0.54
PLK1 P53350 1/20 0.54
TP53 P04637 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54

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
SCHEMBL92266 0.86 RAB9A (0.62) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL92280 0.86 RAB9A (0.72) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL3596431 0.86 TP53 (0.64) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL3182095 0.85 ALDH1A1 (0.67) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL92220 0.84 RAB9A (0.59) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL13581610 0.83 MAPT (0.71) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL7188546 0.82 MAPT (0.65) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL14463132 0.81 MAOA (0.58) RAB9ANPC1MAPTPKMKMT2A
SCHEMBL10274012 0.81 KMT2A (0.61) RAB9ANPC1MAPTKMT2APOLB
SCHEMBL2743104 0.80 KMT2A (0.79) RAB9ANPC1MAPTPKMKMT2A

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 7 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
EP-0765858-B1 NAPHTHOL DERIVATIVES AND PROCESS FOR PRODUCING THE SAME UENO SEIYAKU OYO KENKYUJO KK (JP) 1999-12-22 EP disclosed
US-5786523-A Naphthol derivatives and process for producing the same KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1998-07-28 US disclosed
EP-0765858-A1 NAPHTHOL DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1997-04-02 EP 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 680/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885NPC1 551/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885NPC1 624/4885MAPT 4795/4885

“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.