SCHEMBL11945724

SCHEMBL11945724

CC1(COc2c(N3CCN(S(=O)(=O)Cc4c(OC(F)F)cccc4[N+](=O)[O-])CC3)cnn(-c3cccc(Cl)c3)c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 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
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 6/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ GAA P10253 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ NPBWR1 P48145 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
SCHEMBL11945707 0.90 POLB (0.42) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11945711 0.90 POLB (0.44) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11945726 0.90 POLB (0.44) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11945728 0.89 POLB (0.42) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11944520 0.87 POLB (0.45) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11945714 0.86 POLB (0.44) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11945760 0.85 CYP2C19 (0.41) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11945710 0.84 POLB (0.42) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11945756 0.84 POLB (0.40) POLBCYP2C19CYP3A4PPARGNCOA2
SCHEMBL11944363 0.84 POLB (0.46) POLBCYP2C19CYP3A4PPARGNCOA2

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 1088/4885CYP2C19 461/4885CYP3A4 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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