SCHEMBL91533

SCHEMBL91533

Cc1cc(Cl)c(NC(=O)c2nccc3ccccc23)cc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 1/20 0.46
FLT3 P36888 1/20 0.43
RAB9A P51151 4/20 0.43
CNR2 P34972 1/20 0.41
NPC1 O15118 4/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL92278 0.90 KMT2A (0.48) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL91564 0.90 KMT2A (0.48) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL92276 0.84 KMT2A (0.44) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL27578618 0.84 ITGB1 (0.46) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL14626747 0.84 ITGB1 (0.55) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL2440170 0.83 ITGB1 (0.58) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL91540 0.82 RAB9A (0.55) KMT2AMEN1MAPTTP53TSHR
SCHEMBL14591890 0.82 ITGB1 (0.54) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL14491705 0.82 ITGB1 (0.55) ITGB1ITGA4KMT2AMEN1MAPT
SCHEMBL12327682 0.82 ITGB1 (0.51) ITGB1ITGA4KMT2AMEN1MAPT

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 ITGB1 16/4885ITGA4 3/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 ITGB1 13/4885ITGA4 3/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 ITGB1 22/4885ITGA4 3/4885KMT2A 881/4885

“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.