SCHEMBL92367

SCHEMBL92367

Cc1cc(Cl)c(NC(=O)c2c[nH]c3ccc(F)cc23)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NHERF1 O14745 5/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NR4A2 P43354 1/20 0.41
PYGL P06737 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NOTUM Q6P988 1/20 0.40
CFTR P13569 1/20 0.39
STING1 Q86WV6 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 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
SCHEMBL92389 0.91 NPC1 (0.42) NHERF1NPC1KMT2AMEN1NR4A2
SCHEMBL92571 0.87 NPC1 (0.57) NHERF1NPC1KMT2AMEN1NR4A2
SCHEMBL14113757 0.81 NHERF1 (0.45) NHERF1KDM4ENPC1KMT2AMEN1
SCHEMBL91527 0.77 MAPT (0.41) KDM4EALDH1A1PYGLMAPTALOX15
SCHEMBL92330 0.77 MAOB (0.42) NPC1MAPTALOX15
SCHEMBL92363 0.76 ITGB1 (0.42) KDM4EALDH1A1NR4A2MAPT
SCHEMBL92374 0.76 NPC1 (0.61) NHERF1NPC1KMT2AMEN1NR4A2
SCHEMBL92574 0.76 NPC1 (0.61) NHERF1NPC1KMT2AMEN1ALDH1A1
SCHEMBL92360 0.75 MAPT (0.41) NPC1ALDH1A1MAPTALOX15
SCHEMBL91550 0.75 MAPT (0.41) KDM4EALDH1A1PYGLMAPTALOX15

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 NHERF1 268/4885KDM4E 983/4885NPC1 680/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 NHERF1 254/4885KDM4E 996/4885NPC1 551/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NHERF1 198/4885KDM4E 1607/4885NPC1 624/4885

“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.