SCHEMBL92335

SCHEMBL92335

Bc1cc(C)ccc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
MAOB P27338 3/20 0.50
NR4A2 P43354 1/20 0.50
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GLA P06280 1/20 0.46
CNR2 P34972 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL10273136 0.90 CDK2 (0.41) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL92383 0.87 RAB9A (0.60) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL10273857 0.85 NPC1 (0.54) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL92369 0.85 RAB9A (0.64) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL92336 0.83 MEN1 (0.55) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL14772098 0.82 KMT2A (0.48) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL92338 0.77 KMT2A (0.53) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL91608 0.77 MAOB (0.54) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL10273950 0.76 MAPT (0.51) KMT2ARAB9ANPC1MEN1MAOB
SCHEMBL6005094 0.76 MAOB (0.61) KMT2ANPC1MAOBNR4A2POLB

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 KMT2A 881/4885RAB9A 1187/4885NPC1 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.