SCHEMBL92613

SCHEMBL92613

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
NPC1 O15118 7/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 7/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 3/20 0.46
AHR P35869 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR4A2 P43354 1/20 0.45
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL10273857 0.90 NPC1 (0.54) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL10273939 0.90 RAB9A (0.56) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL93049 0.84 RAB9A (0.59) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT
SCHEMBL10273155 0.83 MAOB (0.47) RAB9ASMN1; SMN2NPC1L3MBTL1LMNA
SCHEMBL92605 0.82 MEN1 (0.57) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19657565 0.79 NR4A2 (0.68) L3MBTL1NR4A2BRD4KDM4E
SCHEMBL10273947 0.79 NR4A2 (0.43) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL93044 0.79 RAB9A (0.46) RAB9ASMN1; SMN2NPC1L3MBTL1LMNA
SCHEMBL92383 0.76 RAB9A (0.60) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL93047 0.76 RAB9A (0.43) RAB9ASMN1; SMN2NPC1L3MBTL1LMNA

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 1187/4885SMN1; SMN2 4787/4885NPC1 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.