SCHEMBL21331151

SCHEMBL21331151

CCN(CC)C(=O)c1[nH]c2ccccc2c1C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ MAPT P10636 4/20 0.52
▸ HPGD P15428 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ GAA P10253 3/20 0.51
▸ MAOA P21397 1/20 0.49
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ DAO P14920 1/20 0.45
▸ DDO Q99489 1/20 0.45

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
SCHEMBL26747131 0.81 ALDH1A1 (0.49) ALDH1A1HSD17B10MAPTHPGDUSP2
SCHEMBL28431982 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPTHTTGAA
SCHEMBL2722021 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10MAPTHPGDUSP2
SCHEMBL29897041 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10MAPTHPGDUSP2
SCHEMBL2399274 0.78 ALDH1A1 (0.63) ALDH1A1HSD17B10MAPTHPGDUSP2
SCHEMBL7678181 0.77 GAA (0.63) ALDH1A1HSD17B10MAPTHPGDGAA
SCHEMBL9986859 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPTHPGDUSP2
SCHEMBL10704376 0.76 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTHPGDUSP2
SCHEMBL2880010 0.76 KDM4E (0.66) ALDH1A1HSD17B10MAPTHPGDGAA
SCHEMBL7679911 0.76 GAA (0.53) ALDH1A1MAPTGAAKDM4EMEN1

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-11390609-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-07-19 — — US disclosed
US-11130749-B2 — — 2021-09-28 — — US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 — — 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 (3 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-11390609-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising same, and preparation method and use thereof ROCK1, ROCK2, RHOA ALDH1A1 4501/4885HSD17B10 2976/4885MAPT 471/4885
US-11130749-B2 — ROCK1, RHOA, ROCK2 ALDH1A1 4171/4885HSD17B10 2384/4885MAPT 253/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885HSD17B10 2976/4885MAPT 471/4885

“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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