SCHEMBL6422711

SCHEMBL6422711

C=C[CH]C1Nc2ccccc2N1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CREBBP Q92793 3/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ BRD4 O60885 3/20 0.31
▸ EP300 Q09472 1/20 0.31
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL1600166 0.70 CREBBP (0.40) MEN1GAAMAPTALOX15CASP1
SCHEMBL17376745 0.64 CREBBP (0.42) MEN1GAAMAPTALOX15CASP1
SCHEMBL20739437 0.62 MEN1 (0.37) MEN1GAAMAPTALOX15CASP1
Naphthalene SCHEMBL56790 0.60 CYP2A6 (0.61) MEN1MAPTALOX15KMT2A
SCHEMBL13949315 0.60 MAPT (0.43) MEN1GAAMAPTALOX15CASP1
SCHEMBL5458130 0.60 IDO1 (0.46) MEN1GAAMAPTALOX15CASP1
SCHEMBL4265282 0.60 CREBBP (0.39) MEN1GAAMAPTALOX15CASP1
SCHEMBL9718691 0.60 CREBBP (0.39) MEN1GAAMAPTALOX15CASP1
SCHEMBL3319641 0.60 CREBBP (0.39) MEN1GAAMAPTALOX15CASP1
SCHEMBL6587899 0.60 CREBBP (0.50) MEN1GAAMAPTALOX15CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256122-A1 Substituted pyridazinones PHARMACIA CORPORATION 2005-11-17 — — 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 (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-20050256122-A1 Substituted pyridazinones MAP4K2, MAPK6, MAP3K6 MEN1 4492/4885GAA 956/4885MAPT 1544/4885

“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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