SCHEMBL5412562

SCHEMBL5412562

Cc1c(Oc2ccc(C#N)cc2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 4/20 0.37
▸ CYP4A11 Q02928 4/20 0.37
▸ CYP11B1 P15538 3/20 0.36
▸ CYP11B2 P19099 3/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ PDE9A O76083 3/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PFKFB2 O60825 1/20 0.34
▸ PFKFB1 P16118 1/20 0.34
▸ PFKFB3 Q16875 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 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
SCHEMBL5407742 0.89 HRH3 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5423843 0.77 ALDH1A1 (0.41) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL21230708 0.76 CYP4F2 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5413157 0.75 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5412575 0.75 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5412574 0.75 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL767841 0.74 RXRA (0.43) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5407010 0.74 CYP4F2 (0.46) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5409241 0.74 ALDH1A1 (0.45) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5412256 0.73 RXRA (0.38) 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 CYP4F2 3069/4885CYP4A11 1289/4885CYP11B1 657/4885

“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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