SCHEMBL92369

SCHEMBL92369

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
POLB P06746 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
GAA P10253 1/20 0.59
MAOB P27338 3/20 0.55
KMT2A Q03164 4/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NR4A2 P43354 1/20 0.50
MAPT P10636 2/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
EPHB3 P54753 1/20 0.47

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
SCHEMBL10273139 0.90 RAB9A (0.59) RAB9APOLBTDP1GAAMAOB
SCHEMBL93049 0.90 RAB9A (0.59) RAB9APOLBTDP1GAAMAOB
SCHEMBL92383 0.87 RAB9A (0.60) RAB9APOLBMAOBKMT2ANPC1
SCHEMBL91608 0.86 MAOB (0.54) RAB9APOLBMAOBKMT2ANPC1
SCHEMBL27596557 0.86 ITGB1 (0.52) RAB9APOLBTDP1GAAMAOB
SCHEMBL92335 0.85 KMT2A (0.51) RAB9APOLBMAOBKMT2ANPC1
SCHEMBL10273857 0.85 NPC1 (0.54) RAB9APOLBGAAMAOBKMT2A
SCHEMBL12327956 0.84 ITGB1 (0.51) RAB9APOLBTDP1GAAMAOB
SCHEMBL5163019 0.84 MAOB (0.49) RAB9APOLBTDP1GAAMAOB
SCHEMBL27596564 0.84 MAOB (0.52) RAB9APOLBTDP1GAAMAOB

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 1503/4885POLB 3346/4885TDP1 4881/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 RAB9A 1491/4885POLB 3839/4885TDP1 4883/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 RAB9A 1187/4885POLB 3232/4885TDP1 4867/4885

“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.