SCHEMBL5425465

SCHEMBL5425465

Cc1c(O[C@@H]2CCC[C@H](N)C2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 5/20 0.36
▸ CYP4A11 Q02928 5/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATR Q13535 5/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ ROCK1 Q13464 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL5425473 1.00 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5425470 1.00 CYP4F2 (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5412575 0.89 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5412574 0.89 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5413157 0.89 ALDH1A1 (0.38) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5418192 0.86 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5418188 0.86 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5418186 0.86 RXRA (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5408710 0.84 ATR (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL5408699 0.84 ATR (0.36) 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 1289/4885RXRA 1096/4885

“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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