SCHEMBL11945703

SCHEMBL11945703

CCOc1cccc(CS(=O)(=O)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3OCC3(C)CC3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ MAPT P10636 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 6/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ THRB P10828 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ DCTPP1 Q9H773 2/20 0.35
▸ GAA P10253 3/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 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
SCHEMBL11945713 0.95 POLB (0.45) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945716 0.92 POLB (0.44) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945711 0.92 POLB (0.44) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945646 0.89 POLB (0.42) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11944520 0.88 POLB (0.45) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945766 0.88 POLB (0.41) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945680 0.88 POLB (0.42) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945693 0.87 POLB (0.42) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945637 0.87 POLB (0.45) POLBNPSR1CYP2C19CYP3A4PPARG
SCHEMBL11945647 0.87 POLB (0.41) POLBNPSR1CYP2C19CYP3A4PPARG

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 POLB 1088/4885NPSR1 4251/4885CYP2C19 461/4885

“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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