SCHEMBL92383

SCHEMBL92383

Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 2/20 0.60
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 3/20 0.55
PKM P14618 1/20 0.55
MAOB P27338 2/20 0.55
THRB P10828 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NR4A2 P43354 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MAOA P21397 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL10273950 0.89 MAPT (0.51) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL92369 0.87 RAB9A (0.64) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL92335 0.87 KMT2A (0.51) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL10273857 0.87 NPC1 (0.54) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL92336 0.85 MEN1 (0.55) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL70951 0.85 RAB9A (0.52) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL91593 0.85 RAB9A (0.52) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL14772098 0.84 KMT2A (0.48) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL14591763 0.82 RAB9A (0.49) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL71948 0.81 RAB9A (0.48) RAB9AMEN1KMT2ANPC1POLB

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 4 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

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 1503/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885MEN1 4337/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885MEN1 4226/4885KMT2A 881/4885

“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.