SCHEMBL11944409

SCHEMBL11944409

O=c1c(OC2CCC(F)C2)c(N2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cn3)CC2)cnn1-c1cc(F)cc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ SLC2A3 P11169 1/20 0.31
▸ CXCR3 P49682 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
SCHEMBL11945622 0.92 MAPT (0.36) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944472 0.91 ALDH1A1 (0.37) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944434 0.89 MAPT (0.36) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944546 0.89 MAPT (0.36) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944515 0.86 MAPT (0.34) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944395 0.85 POLB (0.35) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944526 0.84 MAPT (0.34) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944798 0.84 MAPT (0.42) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944800 0.84 POLB (0.40) MAPTPOLBCYP3A4CYP2C19PPARG
SCHEMBL11944502 0.82 MAPT (0.38) MAPTPOLBCYP3A4CYP2C19PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP 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

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 2295/4885POLB 1088/4885CYP3A4 281/4885

“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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