SCHEMBL93043

SCHEMBL93043

Cc1cc(Cl)c(NC(=O)c2nsc3ccc(F)cc23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.43
ALOX15 P16050 5/20 0.43
TP53 P04637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL92550 0.88 MAPT (0.59) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL93050 0.80 MAPT (0.43) MAPTPOLBLMNATP53KDM4E
SCHEMBL91527 0.79 MAPT (0.41) MAPTLMNAALOX15TP53KDM4E
SCHEMBL91565 0.78 HIF1A (0.48) MAPTPOLBALOX15TP53NPC1
SCHEMBL92553 0.77 LMNA (0.44) MAPTLMNAALOX15TP53KDM4E
SCHEMBL93046 0.77 MAPT (0.63) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL92543 0.77 MAPT (0.63) MAPTPOLBLMNATP53SMN1; SMN2
SCHEMBL91547 0.76 HIF1A (0.48) MAPTPOLBALOX15TP53NPC1
SCHEMBL92542 0.75 LMNA (0.44) MAPTLMNAALOX15TP53KDM4E
SCHEMBL91550 0.74 MAPT (0.41) MAPTLMNAALOX15TP53KDM4E

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 3346/4885LMNA 1352/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885POLB 3839/4885LMNA 1493/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885POLB 3232/4885LMNA 1466/4885

“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.