SCHEMBL5408710

SCHEMBL5408710

Cc1c(OC2CCCC(N3CCOCC3)C2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 12/20 0.36
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ SETD2 Q9BYW2 1/20 0.33
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 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
SCHEMBL5408704 1.00 ATR (0.36) ATRRXRARXRBRXRGHRH3
SCHEMBL5408699 1.00 ATR (0.36) ATRRXRARXRBRXRGHRH3
SCHEMBL5418192 0.95 RXRA (0.35) ATRRXRARXRBRXRGHRH3
SCHEMBL5418186 0.95 RXRA (0.35) ATRRXRARXRBRXRGHRH3
SCHEMBL5418188 0.95 RXRA (0.35) ATRRXRARXRBRXRGHRH3
SCHEMBL5407733 0.90 IRAK4 (0.40) ATRRXRARXRBRXRGHRH3
SCHEMBL5415156 0.84 RXRA (0.36) ATRRXRARXRBRXRGHRH3
SCHEMBL5415159 0.84 RXRA (0.36) ATRRXRARXRBRXRGHRH3
SCHEMBL5425473 0.84 CYP4F2 (0.36) ATRRXRARXRBRXRGCYP4F2
SCHEMBL5425470 0.84 CYP4F2 (0.36) ATRRXRARXRBRXRGCYP4F2

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 ATR 2422/4885RXRA 1096/4885RXRB 1324/4885

“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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