SCHEMBL24076597

SCHEMBL24076597

CCOC(=O)c1cccc(-c2cc(OC)c3[nH]ncc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.58
NPC1 O15118 1/20 0.51
BRAF P15056 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
HSD17B2 P37059 1/20 0.43
SYK P43405 1/20 0.43
GALR1 P47211 1/20 0.43

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
SCHEMBL21509882 0.85 ROCK2 (0.60) ROCK2MAOAMAOB
SCHEMBL24076596 0.81 ROCK2 (0.56) ROCK2
SCHEMBL4114637 0.79 BRAF (0.61) NPC1BRAFHSD17B2
SCHEMBL29617015 0.75 TP53 (0.62) NPC1GALR1
SCHEMBL4193217 0.74 TP53 (0.61) GALR1
SCHEMBL12553322 0.74 NPC1 (0.57) NPC1BRAFHSD17B2GALR1
SCHEMBL1144543 0.74 MEN1 (0.44) PDGFRBPDGFRAHSD17B2
SCHEMBL4174579 0.73 CYP1A1 (0.54) GALR1
SCHEMBL12581547 0.73 NPC1 (0.56) NPC1BRAFHSD17B2
SCHEMBL2404818 0.71 NPC1 (0.59) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 US disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 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 (2 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-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT ROCK2 2/4885NPC1 1096/4885BRAF 305/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT ROCK2 2/4885NPC1 1096/4885BRAF 305/4885

“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.