SCHEMBL91650

SCHEMBL91650

Cc1cc(Cl)c(NC(=O)c2csc3ccccc23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
NFKB1 P19838 2/20 0.49
HTT P42858 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49

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
SCHEMBL91671 0.90 HDAC3 (0.54) SMN1; SMN2MAPTRAB9ANPSR1NPC1
SCHEMBL91757 0.89 HDAC3 (0.52) SMN1; SMN2MAPTRAB9ANPSR1NPC1
SCHEMBL92608 0.87 RAB9A (0.43) SMN1; SMN2MAPTRAB9ANPSR1NPC1
SCHEMBL91550 0.87 MAPT (0.41) SMN1; SMN2MAPTTP53PIK3CAALDH1A1
SCHEMBL91527 0.87 MAPT (0.41) SMN1; SMN2MAPTNPSR1TP53MAOB
SCHEMBL10273141 0.87 RAB9A (0.46) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL91670 0.84 PIN1 (0.53) SMN1; SMN2MAPTRAB9ANPSR1NPC1
SCHEMBL71627 0.82 HDAC3 (0.45) SMN1; SMN2MAPTRAB9ANPSR1NPC1
SCHEMBL91763 0.82 RAB9A (0.64) SMN1; SMN2MAPTRAB9ANPSR1NPC1
SCHEMBL72217 0.82 MAPT (0.41) SMN1; SMN2MAPTRAB9ANPSR1NPC1

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 SMN1; SMN2 4739/4885MAPT 4775/4885RAB9A 1503/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 SMN1; SMN2 4702/4885MAPT 4773/4885RAB9A 1491/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 SMN1; SMN2 4787/4885MAPT 4795/4885RAB9A 1187/4885

“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.