SCHEMBL5415947

SCHEMBL5415947

CN(C)C(=O)c1cccc(Oc2ccc3[nH]ncc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
F10 P00742 3/20 0.48
ROCK2 O75116 6/20 0.47
ROCK1 Q13464 5/20 0.47
F2 P00734 1/20 0.46
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
RAF1 P04049 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DYRK3 O43781 2/20 0.42
RPS6KB1 P23443 2/20 0.42
CLK2 P49760 2/20 0.42

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
SCHEMBL5416090 0.85 AKR1C3 (0.56) NPC1RAB9AROCK2ROCK1CTNNB1
SCHEMBL5409208 0.81 ROCK2 (0.58) NPC1RAB9AROCK2ROCK1CTNNB1
SCHEMBL5423882 0.80 ROCK2 (0.46) NPC1RAB9AROCK2ROCK1CTNNB1
SCHEMBL7950682 0.75 AKR1C3 (0.66) NPC1F10F2RAF1ALDH1A1
SCHEMBL19533525 0.75 DYRK3 (0.57) NPC1RAB9AROCK2ROCK1CTNNB1
SCHEMBL8736432 0.74 ALDH1A1 (0.59) F10F2RAF1ALDH1A1HPGD
SCHEMBL3637193 0.74 CTNNB1 (0.52) NPC1RAB9AROCK2ROCK1CTNNB1
SCHEMBL22259503 0.74 GSK3B (0.56) ROCK2ROCK1CTNNB1WNT3AJAK2
SCHEMBL14738564 0.73 NOS1 (0.60) RAB9AROCK2ROCK1HAO1JAK2
SCHEMBL30715237 0.73 MAOB (0.51) ROCK2ROCK1ALDH1A1MEN1KMT2A

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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 (1 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA NPC1 837/4885RAB9A 85/4885F10 1644/4885

“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.