SCHEMBL25045746

SCHEMBL25045746

CC/C=C(\CC)CNC(=O)NCc1cc(F)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL23384711 0.87 KLKB1 (0.41) SMN1; SMN2PTPN1L3MBTL1KLKB1EPHX2
SCHEMBL27229801 0.74 TACR1 (0.49) SMN1; SMN2PTPN1L3MBTL1ALDH1A1TACR1
SCHEMBL24324560 0.74 TACR1 (0.41) SMN1; SMN2L3MBTL1KLKB1PDE10AALDH1A1
SCHEMBL23384776 0.73 SMN1; SMN2 (0.40) SMN1; SMN2PTPN1L3MBTL1KLKB1PDE10A
SCHEMBL23384767 0.73 TACR1 (0.45) SMN1; SMN2L3MBTL1KLKB1ALDH1A1TACR1
SCHEMBL29339279 0.71 GAA (0.50) SMN1; SMN2EPHX2ALDH1A1TACR1
SCHEMBL29784651 0.69 DYRK1A (0.43) SMN1; SMN2L3MBTL1NAMPTTACR1
SCHEMBL31618677 0.68 CYP4F2 (0.46) SMN1; SMN2
SCHEMBL23384717 0.67 NPC1 (0.52) SMN1; SMN2PTPN1FAAHALDH1A1TACR1
SCHEMBL14672755 0.66 TACR1 (0.60) SMN1; SMN2EPHX2ALDH1A1TACR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 — — US 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-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 SMN1; SMN2 4145/4885PTPN1 1603/4885L3MBTL1 2577/4885

“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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