SCHEMBL93049

SCHEMBL93049

Cc1ccc(NC(=O)c2cn(C)c3ccc(C)cc23)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.59
POLB P06746 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
GAA P10253 1/20 0.52
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
EPHB3 P54753 2/20 0.46
MAOB P27338 2/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
NR4A2 P43354 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL92369 0.90 RAB9A (0.64) RAB9APOLBTDP1GAANPC1
SCHEMBL10273139 0.90 RAB9A (0.59) RAB9APOLBTDP1GAANPC1
SCHEMBL93044 0.89 RAB9A (0.46) RAB9APOLBTDP1GAANPC1
SCHEMBL93047 0.86 RAB9A (0.43) RAB9APOLBTDP1GAANPC1
SCHEMBL92613 0.84 RAB9A (0.56) RAB9AGAANPC1SMN1; SMN2MAPT
SCHEMBL10273155 0.83 MAOB (0.47) RAB9APOLBNPC1SMN1; SMN2MAOB
SCHEMBL92605 0.82 MEN1 (0.57) RAB9APOLBGAANPC1SMN1; SMN2
SCHEMBL19657565 0.79 NR4A2 (0.68) POLBMAOBNR4A2L3MBTL1
SCHEMBL10285849 0.79 RAB9A (0.46) RAB9APOLBTDP1GAANPC1
SCHEMBL10273947 0.79 NR4A2 (0.43) RAB9APOLBNPC1SMN1; SMN2MAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885POLB 3232/4885TDP1 4867/4885

“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.