SCHEMBL92276

SCHEMBL92276

COc1cc(C)c(F)cc1NC(=O)c1nccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
FLT3 P36888 1/20 0.42
RAB9A P51151 3/20 0.41
KDR P35968 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41

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 0.88 KMT2A (0.48) KMT2AMEN1MAPTTP53TSHR
SCHEMBL91533 0.84 ITGB1 (0.47) KMT2AMEN1MAPTTP53TSHR
SCHEMBL91568 0.83 EPHX1 (0.49) KMT2AMEN1MAPTTP53TSHR
SCHEMBL92267 0.82 KMT2A (0.55) KMT2AMEN1MAPTTP53KDM4E
SCHEMBL92212 0.78 HIF1A (0.68) MAPTTP53HIF1A
SCHEMBL93045 0.78 MAPT (0.57) MAPTTP53LMNASMN1; SMN2
SCHEMBL91598 0.77 KDM4E (0.51) KMT2AMEN1MAPTTSHRKDM4E
SCHEMBL91551 0.77 RAB9A (0.51) KMT2AMEN1MAPTTP53TSHR
SCHEMBL27578618 0.76 ITGB1 (0.46) KMT2AMEN1MAPTTP53TSHR
SCHEMBL91564 0.74 KMT2A (0.48) KMT2AMEN1MAPTTP53TSHR

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 KMT2A 568/4885MEN1 4254/4885MAPT 4775/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885MEN1 4337/4885MAPT 4773/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885MEN1 4226/4885MAPT 4795/4885

“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.