SCHEMBL92251

SCHEMBL92251

Cc1cc(Cl)c(NC(=O)c2noc3ccccc23)cc1F

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 18/20 0.65
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL92200 0.91 HIF1A (0.70) HIF1A
SCHEMBL92213 0.90 HIF1A (0.58) HIF1ATP53SMN1; SMN2
SCHEMBL91565 0.88 HIF1A (0.48) HIF1ATP53SMN1; SMN2
SCHEMBL91547 0.88 HIF1A (0.48) HIF1AITGB1ITGA4TP53SMN1; SMN2
SCHEMBL92212 0.84 HIF1A (0.68) HIF1ATP53
SCHEMBL2432426 0.83 HIF1A (0.60) HIF1AITGB1ITGA4
SCHEMBL92286 0.82 HIF1A (0.73) HIF1ATP53SMN1; SMN2
SCHEMBL10273949 0.79 KDM4E (0.50)
SCHEMBL91531 0.78 MAOB (0.54)
SCHEMBL92550 0.77 MAPT (0.59) TP53SMN1; 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 HIF1A 652/4885ITGB1 16/4885ITGA4 3/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HIF1A 594/4885ITGB1 13/4885ITGA4 3/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HIF1A 980/4885ITGB1 22/4885ITGA4 3/4885

“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.