SCHEMBL11945890

SCHEMBL11945890

COc1ccc(CNS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ NCOA2 Q15596 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ MAPT P10636 3/20 0.37
▸ NPBWR1 P48145 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ GPR55 Q9Y2T6 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MCL1 Q07820 1/20 0.33

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
SCHEMBL11945869 0.95 POLB (0.41) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945942 0.94 POLB (0.42) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945924 0.92 POLB (0.42) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945949 0.92 POLB (0.45) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945911 0.91 POLB (0.42) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945922 0.91 POLB (0.42) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945894 0.90 NPSR1 (0.41) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945929 0.89 POLB (0.39) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL11945870 0.89 NPSR1 (0.41) NPSR1POLBCYP3A4CYP2C19PPARG
SCHEMBL17058448 0.88 NPBWR1 (0.36) NPSR1POLBCYP3A4CYP2C19PPARG

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 2 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-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 NPSR1 4251/4885POLB 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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