SCHEMBL91593

SCHEMBL91593

Cc1cc(CC=O)ccc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
MAOB P27338 2/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 3/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR4A2 P43354 1/20 0.45
MAPT P10636 3/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
KLK1 P06870 1/20 0.43
KLK5 Q9Y337 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
SCHEMBL12327956 0.88 ITGB1 (0.51) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL70951 0.87 RAB9A (0.52) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL92383 0.85 RAB9A (0.60) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL14591763 0.84 RAB9A (0.49) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL71948 0.83 RAB9A (0.48) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL27596557 0.76 ITGB1 (0.52) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL12327667 0.76 LMNA (0.43) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL10273857 0.75 NPC1 (0.54) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL92369 0.75 RAB9A (0.64) RAB9AKMT2AMEN1NPC1MAOB
SCHEMBL92335 0.75 KMT2A (0.51) RAB9AKMT2AMEN1NPC1MAOB

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 1187/4885KMT2A 881/4885MEN1 4226/4885

“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.