SCHEMBL11944132

SCHEMBL11944132

O=c1c(Oc2ccc(O)cc2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 7/20 0.51
▸ MCHR1 Q99705 4/20 0.51
▸ MAPT P10636 1/20 0.50
▸ TP53 P04637 1/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.44
▸ DCTPP1 Q9H773 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41

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
SCHEMBL11944091 0.94 MAPT (0.54) NPBWR1MCHR1MAPTTP53CYP3A4
SCHEMBL11944393 0.88 MAPT (0.53) NPBWR1MCHR1MAPTTP53CYP3A4
SCHEMBL11945422 0.87 MAPT (0.52) NPBWR1MCHR1MAPTTP53CYP3A4
SCHEMBL11944655 0.85 NPBWR1 (0.51) NPBWR1MCHR1MAPTTP53CYP3A4
SCHEMBL11945159 0.85 NPBWR1 (0.43) NPBWR1MCHR1MAPTCYP3A4CYP2C19
SCHEMBL11945041 0.84 MAPT (0.51) MAPTTP53CYP3A4CYP2C19NPSR1
SCHEMBL11943960 0.84 MAPT (0.51) MAPTTP53CYP3A4CYP2C19NPSR1
SCHEMBL11944656 0.84 MAPT (0.49) NPBWR1MCHR1MAPTTP53CYP3A4
SCHEMBL11945275 0.84 MAPT (0.49) NPBWR1MCHR1MAPTTP53CYP3A4
SCHEMBL11945448 0.83 MAPT (0.50) NPBWR1MCHR1MAPTTP53CYP3A4

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 NPBWR1 4643/4885MCHR1 4513/4885MAPT 2295/4885

“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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