SCHEMBL5407742

SCHEMBL5407742

Cc1c(Oc2cccc(C#N)c2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ EPAS1 Q99814 5/20 0.38
▸ PDE9A O76083 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ AR P10275 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ TYRO3 Q06418 1/20 0.34
▸ VEGFA P15692 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34

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
SCHEMBL5412562 0.89 CYP4F2 (0.37) HRH3SLC6A4PDE9ASLC22A12CYP4F2
SCHEMBL5423843 0.83 ALDH1A1 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL14722997 0.73 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21230708 0.73 CYP4F2 (0.46) PDE9ACYP4F2CYP4A11RXRARXRB
SCHEMBL30672085 0.72 RXRA (0.55) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL1208574 0.72 RXRA (0.55) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5413157 0.72 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5412575 0.72 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5412574 0.72 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL767841 0.71 RXRA (0.43) CYP4F2CYP4A11RXRARXRBRXRG

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 HRH3 1124/4885SLC6A4 4344/4885EPAS1 2195/4885

“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.

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