SCHEMBL5413451

SCHEMBL5413451

COc1ccc(CNC(=O)c2ccc3[nH]ncc3c2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
ROCK2 O75116 4/20 0.58
TP53 P04637 3/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MAOB P27338 3/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAOA P21397 1/20 0.53
ROCK1 Q13464 1/20 0.52
PPARG P37231 1/20 0.52
METTL3 Q86U44 1/20 0.52
NAMPT P43490 1/20 0.51

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
SCHEMBL5414851 0.92 ROCK2 (0.58) MAPTROCK2TP53NPC1RAB9A
SCHEMBL5412630 0.87 ROCK2 (0.64) MAPTROCK2TP53LMNAMAOB
SCHEMBL5412553 0.84 MAOB (0.67) MAPTROCK2TP53NPC1RAB9A
SCHEMBL5412828 0.82 ROCK2 (0.68) ROCK2NPC1RAB9AMAOBALDH1A1
SCHEMBL5408622 0.82 MAOB (0.58) MAPTROCK2TP53NPC1RAB9A
SCHEMBL5418304 0.82 ROCK2 (0.83) ROCK2LMNANPC1RAB9AMAOB
SCHEMBL5413303 0.81 MAOB (0.59) ROCK2NPC1RAB9AMAOBMAOA
SCHEMBL4886080 0.81 ROCK2 (0.63) MAPTROCK2TP53LMNAMAOB
SCHEMBL5419152 0.81 MAOB (0.67) ROCK2LMNAMAOBALDH1A1NPSR1
SCHEMBL23115679 0.78 TSHR (0.55) MAPTROCK2TP53LMNANPC1

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 MAPT 3261/4885ROCK2 2/4885TP53 4040/4885

“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.