SCHEMBL93050

SCHEMBL93050

Cc1cc(Cl)c(NC(=O)c2nsc3cccc(F)c23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
POLB P06746 4/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 4/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
RIPK1 Q13546 1/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL10285972 0.90 MAPT (0.47) MAPTPOLBLMNAKITKDR
SCHEMBL92550 0.85 MAPT (0.59) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL2437969 0.83 ITGB1 (0.46) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL93043 0.80 MAPT (0.47) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL92543 0.74 MAPT (0.63) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL93046 0.74 MAPT (0.63) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL92572 0.71 ALDH1A1 (0.44) MAPTPOLBRAB9AKDM4ELMNA
SCHEMBL24170257 0.71 KCNMA1 (0.57) NPC1RAB9AKDM4EHPGDHTT
SCHEMBL91650 0.70 SMN1; SMN2 (0.49) MAPTNPC1RAB9AKDM4ELMNA
SCHEMBL93045 0.70 MAPT (0.57) MAPTPOLBLMNATP53SMN1; SMN2

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 4775/4885POLB 3346/4885NPC1 680/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885POLB 3839/4885NPC1 551/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885POLB 3232/4885NPC1 624/4885

“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.