SCHEMBL92336

SCHEMBL92336

COc1cc(C)ccc1NC(=O)c1cn(C)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NR4A2 P43354 1/20 0.54
KCNMA1 Q12791 1/20 0.51
BRPF1 P55201 2/20 0.51
BRD4 O60885 1/20 0.51
S1PR2 O95136 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ABCG2 Q9UNQ0 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAOB P27338 1/20 0.48
LPAR1 Q92633 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL92605 0.90 MEN1 (0.57) MEN1KMT2AKCNMA1BRPF1BRD4
SCHEMBL92383 0.85 RAB9A (0.60) MEN1KMT2ANR4A2POLBMAPT
SCHEMBL14626962 0.85 POLB (0.63) MEN1KMT2ANR4A2BRPF1BRD4
SCHEMBL72352 0.85 POLB (0.61) MEN1KMT2ANR4A2BRPF1BRD4
SCHEMBL92337 0.84 BRPF1 (0.50) MEN1KMT2ANR4A2BRPF1BRD4
SCHEMBL72718 0.83 MAPT (0.57) MEN1KMT2ANR4A2BRPF1BRD4
SCHEMBL10273857 0.83 NPC1 (0.54) MEN1KMT2ANR4A2BRD4POLB
SCHEMBL92369 0.83 RAB9A (0.64) MEN1KMT2ANR4A2POLBMAPT
SCHEMBL92335 0.83 KMT2A (0.51) MEN1KMT2ANR4A2POLBMAPT
SCHEMBL2429782 0.83 MEN1 (0.48) MEN1KMT2ANR4A2BRPF1BRD4

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 MEN1 4254/4885KMT2A 568/4885NR4A2 224/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MEN1 4337/4885KMT2A 656/4885NR4A2 202/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MEN1 4226/4885KMT2A 881/4885NR4A2 252/4885

“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.