SCHEMBL92507

SCHEMBL92507

COc1ccc(CC(=O)N2CCNCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.82
MAPT P10636 2/20 0.73
HSD17B10 Q99714 3/20 0.63
GFER P55789 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.61
HPGD P15428 4/20 0.61
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 3/20 0.60
GAA P10253 1/20 0.59
MEN1 O00255 2/20 0.58
SIGMAR1 Q99720 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GPR183 P32249 1/20 0.55
LMNA P02545 1/20 0.55
RAB9A P51151 1/20 0.55
ABCB1 P08183 1/20 0.53
ABCC1 P33527 1/20 0.53

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
SCHEMBL19975592 0.92 MAPT (0.84) SMN1; SMN2MAPTHSD17B10GFERL3MBTL1
SCHEMBL3673014 0.87 SMN1; SMN2 (0.58) SMN1; SMN2MAPTGFERL3MBTL1HPGD
SCHEMBL2236750 0.86 SMN1; SMN2 (0.84) SMN1; SMN2MAPTHSD17B10GFERL3MBTL1
SCHEMBL9321597 0.84 MAPT (1.00) SMN1; SMN2MAPTHSD17B10GFERL3MBTL1
SCHEMBL13068565 0.84 FKBP1A (0.60) SMN1; SMN2MAPTHSD17B10HPGDALDH1A1
SCHEMBL31499418 0.83 SMN1; SMN2 (0.79) SMN1; SMN2MAPTHSD17B10GFERL3MBTL1
SCHEMBL31499420 0.83 SMN1; SMN2 (0.79) SMN1; SMN2MAPTHSD17B10GFERL3MBTL1
SCHEMBL31499419 0.83 SMN1; SMN2 (0.79) SMN1; SMN2MAPTHSD17B10GFERL3MBTL1
SCHEMBL654109 0.83 TPSAB1 (0.76) SMN1; SMN2MAPTL3MBTL1ALDH1A1KMT2A
SCHEMBL27253358 0.82 MEN1 (0.65) SMN1; SMN2GFERHPGDALDH1A1KMT2A

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 3 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-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 (2 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-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 SMN1; SMN2 4702/4885MAPT 4773/4885HSD17B10 861/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 SMN1; SMN2 4787/4885MAPT 4795/4885HSD17B10 736/4885

“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.