SCHEMBL25003231

SCHEMBL25003231

COc1ncc(C(C)(C)C)c2cccc(Cl)c12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 13/20 0.37
KCNJ5 P48544 2/20 0.37
KCNJ3 P48549 2/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SQOR Q9Y6N5 1/20 0.33
MAOB P27338 1/20 0.32
NFE2L2 Q16236 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
SCHEMBL26262796 0.83 GABRA1 (0.36) KCNJ5KCNJ3HPGDALDH1A1CYP1A2
SCHEMBL25004047 0.82 FEN1 (0.38) CCR4HPGDALDH1A1CYP1A2CYP2C19
SCHEMBL25003399 0.77 ALDH1A1 (0.50) HPGDALDH1A1CYP1A2CYP2C19SQOR
SCHEMBL25003239 0.75 ABL1 (0.41) HPGDALDH1A1CYP1A2CYP2C19SQOR
SCHEMBL25003411 0.73 ALOX5AP (0.38)
SCHEMBL25003725 0.72 SQOR (0.40) HPGDALDH1A1CYP1A2CYP2C19SQOR
SCHEMBL25003191 0.71 MAP4K1 (0.37) CCR4
SCHEMBL25003923 0.71 LMNA (0.36) CCR4HPGDALDH1A1
SCHEMBL25003410 0.68 MAP4K1 (0.39) SQOR
SCHEMBL25003931 0.68 AURKA (0.38) ALDH1A1CYP1A2CYP2C19SQOR

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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-02-09 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-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF CCR4 1582/4885KCNJ5 4796/4885KCNJ3 4737/4885
US-20230045421-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME HAVCR2, HMBS, AHCY CCR4 1625/4885KCNJ5 3982/4885KCNJ3 3766/4885

“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.