SCHEMBL20612434

SCHEMBL20612434

CC(C)NC(=O)c1cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TAS1R3 Q7RTX0 9/20 0.41
▸ TAS1R1 Q7RTX1 9/20 0.41
▸ POLB P06746 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ MAOA P21397 2/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39

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
SCHEMBL24943919 0.90 TAS1R3 (0.49) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL20562375 0.86 CSF1R (0.41) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL23810225 0.80 CA1 (0.37) ALDH1A1LMNATHRBRAB9ACA1
SCHEMBL20596969 0.79 LMNA (0.48) ALDH1A1LMNATAS1R3TAS1R1POLB
SCHEMBL28650123 0.79 CSF1R (0.39) ALDH1A1MEN1KMT2AHPGDCA1
SCHEMBL17206037 0.76 HIF1A (0.41) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL24944316 0.76 ALOX15 (0.60) ALDH1A1NPC1RAB9AKMT2ATAS1R3
SCHEMBL20612432 0.75 ALDH1A1 (0.54) ALDH1A1LMNATHRBNPC1RAB9A
SCHEMBL15739649 0.74 CA1 (0.53) ALDH1A1LMNACA1CA2CA9
SCHEMBL15465521 0.73 AAK1 (0.47) ALDH1A1LMNANPC1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 — — EP disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 — — EP disclosed
US-11130749-B2 — — 2021-09-28 — — US disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 — — EP 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
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 — — US disclosed
EP-3421465-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 — — 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 (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-11130749-B2 — ROCK1, RHOA, ROCK2 ALDH1A1 4171/4885LMNA 1800/4885THRB 3548/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 ALDH1A1 4513/4885LMNA 1339/4885THRB 2530/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA ALDH1A1 4501/4885LMNA 1748/4885THRB 3973/4885

“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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