SCHEMBL93045

SCHEMBL93045

COc1cc(C)c(F)cc1NC(=O)c1nsc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.57
POLB P06746 4/20 0.57
TP53 P04637 7/20 0.54
RXFP1 Q9HBX9 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 4/20 0.52

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
SCHEMBL93046 0.88 MAPT (0.63) MAPTPOLBTP53SMN1; SMN2LMNA
SCHEMBL14626973 0.85 MAPT (0.55) MAPTPOLBTP53RXFP1SMN1; SMN2
SCHEMBL92550 0.84 MAPT (0.59) MAPTPOLBTP53SMN1; SMN2LMNA
SCHEMBL92544 0.83 MAPT (0.58) MAPTPOLBTP53RXFP1SMN1; SMN2
SCHEMBL14591884 0.83 MAPT (0.54) MAPTPOLBTP53RXFP1SMN1; SMN2
SCHEMBL91670 0.79 PIN1 (0.53) MAPTPOLBTP53RXFP1SMN1; SMN2
SCHEMBL92212 0.78 HIF1A (0.68) MAPTTP53
SCHEMBL92276 0.78 KMT2A (0.44) MAPTTP53SMN1; SMN2LMNA
SCHEMBL91598 0.77 KDM4E (0.51) MAPT
SCHEMBL92534 0.76 MAPT (0.65) MAPTPOLBTP53SMN1; SMN2LMNA

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

“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.