SCHEMBL5407541

SCHEMBL5407541

O=C(NC1CCCCCCC1)c1ccc2[nH]ncc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.65
ROCK2 O75116 3/20 0.64
ROCK1 Q13464 2/20 0.64
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
RAB9A P51151 6/20 0.52
S1PR1 P21453 1/20 0.52
MAOB P27338 3/20 0.51
NPC1 O15118 5/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMYD3 Q9H7B4 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL5418306 1.00 MAPK14 (0.65) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5414865 1.00 MAPK14 (0.65) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5412477 0.99 MAPK14 (0.66) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5405456 0.96 MAPK14 (0.66) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5417704 0.95 MAPK14 (0.63) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5417699 0.95 MAPK14 (0.63) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5415905 0.94 MAPK14 (0.64) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5415900 0.94 MAPK14 (0.64) MAPK14ROCK2ROCK1ALDH1A1TSHR
SCHEMBL5407984 0.93 MAPK14 (0.72) MAPK14ROCK2ROCK1RAB9AMAOB
SCHEMBL5412274 0.91 MAPK14 (0.64) MAPK14ROCK2ROCK1RAB9AMAOB

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 MAPK14 156/4885ROCK2 2/4885ROCK1 1/4885

“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.