SCHEMBL92237

SCHEMBL92237

Cc1cc(F)c(NC(=O)c2cccc3ccccc23)cc1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
RAB9A P51151 4/20 0.64
MEN1 O00255 4/20 0.64
NPC1 O15118 3/20 0.55
TP53 P04637 2/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 2/20 0.54
GFER P55789 1/20 0.53
H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 P62805 1/20 0.52
EP300 Q09472 1/20 0.52
PRMT1 Q99873 1/20 0.52
PLK1 P53350 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CNR2 P34972 1/20 0.50
DEGS1 O15121 1/20 0.49
MMP3 P08254 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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 0.92 KMT2A (0.61) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL92242 0.88 RAB9A (0.64) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL92267 0.86 KMT2A (0.55) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL3596431 0.81 TP53 (0.64) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL31319822 0.81 RAB9A (0.66) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL3182095 0.80 ALDH1A1 (0.67) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL92278 0.80 KMT2A (0.48) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL91671 0.79 HDAC3 (0.54) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL31675007 0.78 RAB9A (0.64) KMT2ARAB9AMEN1NPC1TP53
SCHEMBL92374 0.78 NPC1 (0.61) KMT2ARAB9AMEN1NPC1

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.