SCHEMBL91539

SCHEMBL91539

Cc1cc(Cl)c(NC(=O)c2cn(C)c3ccc(F)cc23)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
NR4A2 P43354 1/20 0.40
LMNA P02545 5/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 2/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL92363 0.92 ITGB1 (0.42) MAPTTP53POLBMAOBALDH1A1
SCHEMBL93044 0.90 RAB9A (0.46) MAPTTP53POLBMAOBALDH1A1
SCHEMBL91608 0.85 MAOB (0.54) MAPTPOLBMAOBALDH1A1NR4A2
SCHEMBL91561 0.84 MEN1 (0.48) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL93047 0.84 RAB9A (0.43) MAPTTP53POLBMAOBNR4A2
SCHEMBL92496 0.83 MAPT (0.42) MAPTTP53POLBMAOBLMNA
SCHEMBL10285849 0.82 RAB9A (0.46) MAPTTP53POLBMAOBALDH1A1
SCHEMBL2432672 0.81 ITGB1 (0.52) MAPTTP53POLBMAOBNR4A2
SCHEMBL91548 0.80 MEN1 (0.48) MAPTTP53POLBALDH1A1KDM4E
SCHEMBL14626858 0.80 ITGB1 (0.45) MAPTTP53POLBMAOBNR4A2

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 MAPT 4775/4885TP53 4440/4885POLB 3346/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885TP53 4330/4885POLB 3839/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885TP53 4578/4885POLB 3232/4885

“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.