SCHEMBL92267

SCHEMBL92267

COc1cc(C)c(F)cc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 3/20 0.50
TP53 P04637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
NOD2 Q9HC29 1/20 0.49
GAA P10253 1/20 0.49
CNR2 P34972 1/20 0.48
GFER P55789 1/20 0.48
KDR P35968 1/20 0.48
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL10274012 0.86 KMT2A (0.61) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL92237 0.86 KMT2A (0.64) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL92242 0.83 RAB9A (0.64) KMT2ARAB9AMEN1KDM4ESMN1; SMN2
SCHEMBL92276 0.82 KMT2A (0.44) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL92220 0.81 RAB9A (0.59) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL27364081 0.81 KMT2A (0.65) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL92355 0.81 KMT2A (0.67) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL91670 0.81 PIN1 (0.53) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL91592 0.81 MAPT (0.60) KMT2ARAB9AMEN1ALDH1A1KDM4E
SCHEMBL92337 0.80 BRPF1 (0.50) KMT2ARAB9AMEN1ALDH1A1KDM4E

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 568/4885RAB9A 1503/4885MEN1 4254/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 KMT2A 656/4885RAB9A 1491/4885MEN1 4337/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 KMT2A 881/4885RAB9A 1187/4885MEN1 4226/4885

“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.