SCHEMBL11944430

SCHEMBL11944430

COc1ccc(C2(COc3c(N4CCN(S(=O)(=O)C(C)C)CC4)cnn(-c4cc(F)cc(F)c4)c3=O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.42
▸ NPBWR1 P48145 10/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ CYP17A1 P05093 1/20 0.34
▸ CYP21A2 P08686 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ SLC2A3 P11169 1/20 0.34

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
SCHEMBL11944541 0.94 NPSR1 (0.41) MCHR1NPBWR1NPSR1ALDH1A1POLB
SCHEMBL11944867 0.91 MAPT (0.41) MCHR1NPSR1ALDH1A1POLBCYP3A4
SCHEMBL11944428 0.89 POLB (0.40) MCHR1NPSR1ALDH1A1POLBCYP3A4
SCHEMBL11944356 0.88 MAPT (0.40) MCHR1NPSR1ALDH1A1POLBCYP3A4
SCHEMBL11945267 0.86 CYP3A4 (0.38) MCHR1NPSR1ALDH1A1POLBCYP3A4
SCHEMBL11944344 0.85 MAPT (0.41) MCHR1NPSR1ALDH1A1POLBCYP3A4
SCHEMBL11944688 0.84 POLB (0.38) MCHR1NPSR1ALDH1A1POLBCYP3A4
SCHEMBL11944462 0.84 POLB (0.55) MCHR1NPBWR1NPSR1ALDH1A1POLB
SCHEMBL11944583 0.84 POLB (0.38) MCHR1NPSR1ALDH1A1POLBCYP3A4
SCHEMBL11944773 0.83 POLB (0.37) MCHR1NPSR1ALDH1A1POLBCYP3A4

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 MCHR1 4513/4885NPBWR1 4643/4885NPSR1 4251/4885

“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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