SCHEMBL21217992

SCHEMBL21217992

CC(C)NC(=O)COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 5/20 0.56
AAK1 Q2M2I8 1/20 0.51
GAA P10253 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL24968762 0.90 SMN1; SMN2 (0.59) HIF1AAAK1GAAALDH1A1KDM4E
SCHEMBL21217719 0.87 AAK1 (0.49) HIF1AAAK1GAAALDH1A1SMN1; SMN2
SCHEMBL15638069 0.85 HIF1A (0.49) HIF1AGAAALDH1A1KDM4ELMNA
SCHEMBL29577154 0.85 HIF1A (0.49) HIF1AGAAALDH1A1KDM4ELMNA
SCHEMBL14241985 0.85 HIF1A (0.59) HIF1AAAK1CA1CA2CA9
SCHEMBL21217996 0.83 DGAT1 (0.58) HIF1AAAK1GAAALDH1A1KDM4E
SCHEMBL5956627 0.82 CA1 (0.54) HIF1AAAK1CA1CA2CA9
SCHEMBL21217782 0.82 SMN1; SMN2 (0.51) HIF1AAAK1GAAALDH1A1KDM4E
SCHEMBL21217995 0.82 LMNA (0.53) HIF1AGAAALDH1A1KDM4ELMNA
SCHEMBL18343365 0.82 LMNA (0.47) HIF1AAAK1GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 EP disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 US disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 WO 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA HIF1A 3343/4885AAK1 677/4885GAA 2427/4885

“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.