SCHEMBL24969371

SCHEMBL24969371

CCCC(C)c1ccc2[nH]ncc2c1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 8/20 0.36
▸ ESR1 P03372 6/20 0.36
▸ NR3C1 P04150 1/20 0.35
▸ IDO1 P14902 4/20 0.35
▸ CDK2 P24941 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ NOS1 P29475 3/20 0.33
▸ AXL P30530 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ METAP2 P50579 1/20 0.32

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
SCHEMBL23685819 0.84 TRPA1 (0.39) ESR2ESR1IDO1CDK2FLT3
SCHEMBL22281317 0.80 TRPA1 (0.42) IDO1CDK2FLT3CCNA1NOS1
SCHEMBL21216406 0.80 IDO1 (0.51) NR3C1IDO1NOS1AXLTRPV1
SCHEMBL23732643 0.72 AKT2 (0.32) —
SCHEMBL24094124 0.71 NOS1 (0.41) ESR2ESR1IDO1CDK2NOS1
SCHEMBL21952718 0.71 TRPA1 (0.40) ESR2ESR1IDO1CDK2FLT3
SCHEMBL20439436 0.70 TRPA1 (0.42) ESR2ESR1IDO1CDK2FLT3
SCHEMBL21217948 0.70 TRPA1 (0.39) ESR2ESR1IDO1CDK2FLT3
SCHEMBL8404436 0.69 IDO1 (0.46) ESR2ESR1IDO1CDK2FLT3
SCHEMBL18430266 0.68 NOS1 (0.45) CDK2NOS1METAP2

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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — 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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ESR2 2425/4885ESR1 4519/4885NR3C1 2864/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA ESR2 2425/4885ESR1 4519/4885NR3C1 2864/4885

“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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