SCHEMBL11944656

SCHEMBL11944656

COc1cccc(COc2c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cnn(-c3cccc(Cl)c3)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ NPBWR1 P48145 4/20 0.47
▸ MCHR1 Q99705 2/20 0.47
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ PKM P14618 1/20 0.44
▸ DCTPP1 Q9H773 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL11944655 0.94 NPBWR1 (0.51) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11945422 0.93 MAPT (0.52) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11944393 0.92 MAPT (0.53) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11944661 0.90 MAPT (0.46) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11944654 0.89 MAPT (0.49) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11945454 0.88 NPBWR1 (0.47) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11944091 0.88 MAPT (0.54) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11945275 0.87 MAPT (0.49) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11945359 0.87 MAPT (0.49) MAPTNPBWR1MCHR1CYP3A4CYP2C19
SCHEMBL11945424 0.86 POLB (0.48) MAPTNPBWR1MCHR1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — 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 (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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA MAPT 2295/4885NPBWR1 4643/4885MCHR1 4513/4885

“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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