SCHEMBL92360

SCHEMBL92360

Cc1cc(Cl)c(NC(=O)c2coc3cc(F)ccc23)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 7/20 0.40
ALOX15 P16050 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL92330 0.91 MAOB (0.42) MAPTNPC1RAB9ACTDSP1TDP1
SCHEMBL91607 0.90 NPC1 (0.42) MAPTNPC1RAB9ACTDSP1TDP1
SCHEMBL91531 0.87 MAOB (0.54) MAPTNPC1RAB9AMAOBCA12
SCHEMBL91594 0.80 MAOB (0.44) MAPTNPC1RAB9ACTDSP1TDP1
SCHEMBL91547 0.79 HIF1A (0.48) MAPTNPC1RAB9ATDP1ALOX15
SCHEMBL92389 0.77 NPC1 (0.42) MAPTNPC1ALOX15TAS1R3TAS1R1
SCHEMBL91550 0.77 MAPT (0.41) MAPTTDP1ALOX15TAS1R3TAS1R1
SCHEMBL92496 0.76 MAPT (0.42) MAPTMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL14771982 0.76 MAOB (0.57) MAPTNPC1RAB9AMAOBCA12
SCHEMBL91597 0.76 MAOB (0.57) MAPTNPC1RAB9AMAOBCA12

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 MAPT 4775/4885NPC1 680/4885RAB9A 1503/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAPT 4773/4885NPC1 551/4885RAB9A 1491/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAPT 4795/4885NPC1 624/4885RAB9A 1187/4885

“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.