SCHEMBL5407790

SCHEMBL5407790

O=C1c2ccccc2C(=O)N1C[C@@H]1CCCC[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
SLC18A3 Q16572 2/20 0.49
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
MMP2 P08253 2/20 0.45
MMP3 P08254 2/20 0.45
MMP9 P14780 2/20 0.45
MMP13 P45452 2/20 0.45
MMP1 P03956 1/20 0.45
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KEAP1 Q14145 4/20 0.44
NFE2L2 Q16236 3/20 0.44

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
SCHEMBL5413316 1.00 CYP2C19 (0.51) CYP2C19CYP1A2CYP2C9SLC18A3ALDH1A1
SCHEMBL5407785 1.00 CYP2C19 (0.51) CYP2C19CYP1A2CYP2C9SLC18A3ALDH1A1
SCHEMBL12634640 0.82 HPGD (0.51) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL3781297 0.81 KEAP1 (0.56) CYP2C19CYP1A2CYP2C9CA12CA9
SCHEMBL12634825 0.79 CYP1A2 (0.50) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL3787721 0.78 KEAP1 (0.56) CYP2C19CYP1A2CYP2C9CA12CA9
SCHEMBL13980513 0.77 TSHR (0.48) CYP2C19CYP1A2CYP2C9
SCHEMBL13980519 0.77 TSHR (0.48) CYP2C19CYP1A2CYP2C9
SCHEMBL4743617 0.77 CYP1A2 (0.53) CYP2C19CYP1A2CYP2C9ALDH1A1NPSR1
SCHEMBL3781516 0.77 KMT2A (0.46) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD

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 CYP2C19 2496/4885CYP1A2 2102/4885CYP2C9 3451/4885

“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.