SCHEMBL91553

SCHEMBL91553

Cc1cc(Cl)c(NC(=O)c2cn(C)c3c(F)cccc23)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.42
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL92573 0.93 PCSK9 (0.42) PCSK9TP53POLBMALT1KDM4E
SCHEMBL91552 0.82 ALDH1A1 (0.44) TP53POLBMALT1KDM4EALDH1A1
SCHEMBL14626750 0.82 ITGB1 (0.48) PCSK9TP53POLBKDM4EALDH1A1
SCHEMBL91608 0.81 MAOB (0.54) POLBALDH1A1KMT2ARAB9AMAPT
SCHEMBL14591872 0.81 ITGA4 (0.47) PCSK9TP53POLBKDM4EALDH1A1
SCHEMBL14626742 0.80 ITGB1 (0.43) PCSK9TP53POLBKMT2ARAB9A
SCHEMBL91603 0.79 MAOB (0.51) ALDH1A1KMT2ARAB9AMAPTLMNA
SCHEMBL91539 0.79 MAPT (0.42) TP53POLBKDM4EALDH1A1RAB9A
SCHEMBL14591868 0.78 ITGA4 (0.42) PCSK9TP53POLBKMT2ARAB9A
SCHEMBL93044 0.77 RAB9A (0.46) TP53POLBKDM4EALDH1A1KMT2A

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 PCSK9 746/4885TP53 4440/4885POLB 3346/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 PCSK9 636/4885TP53 4330/4885POLB 3839/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PCSK9 1144/4885TP53 4578/4885POLB 3232/4885

“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.