SCHEMBL92496

SCHEMBL92496

Cc1cc(Cl)c(NC(=O)c2cn(C)c3cc(F)ccc23)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
ITGB1 P05556 4/20 0.41
ITGA4 P13612 4/20 0.41
LMNA P02545 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 1/20 0.38
CNR2 P34972 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 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
SCHEMBL10285851 0.92 RAB9A (0.43) MAPTTP53POLBITGB1ITGA4
SCHEMBL92363 0.91 ITGB1 (0.42) MAPTTP53POLBITGB1ITGA4
SCHEMBL92365 0.90 IDO1 (0.44) MAPTIDO1TDO2TP53LMNA
SCHEMBL91603 0.88 MAOB (0.51) MAPTITGB1ITGA4LMNAMEN1
SCHEMBL93047 0.85 RAB9A (0.43) MAPTTP53POLBITGB1ITGA4
SCHEMBL2429977 0.84 ITGB1 (0.50) MAPTIDO1TDO2TP53POLB
SCHEMBL27579992 0.84 ITGB1 (0.40) MAPTIDO1TDO2TP53POLB
SCHEMBL14771997 0.84 IDO1 (0.40) MAPTIDO1TDO2ITGB1ITGA4
SCHEMBL91539 0.83 MAPT (0.42) MAPTTP53POLBITGB1ITGA4
SCHEMBL14591769 0.83 ITGB1 (0.47) MAPTIDO1TDO2TP53POLB

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 4775/4885IDO1 3042/4885TDO2 4151/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885IDO1 3142/4885TDO2 4253/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885IDO1 3688/4885TDO2 4379/4885

“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.