SCHEMBL11945244

SCHEMBL11945244

O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)CCc3ccccc3Cl)CC2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.41
▸ DCTPP1 Q9H773 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NPBWR1 P48145 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37

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
SCHEMBL11945227 0.92 MAPT (0.47) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11944097 0.92 POLB (0.47) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11944262 0.92 MAPT (0.44) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11944277 0.90 MAPT (0.49) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11944249 0.90 POLB (0.47) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11944129 0.89 POLB (0.46) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11945082 0.88 MAPT (0.52) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11945215 0.87 MAPT (0.57) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11944104 0.87 POLB (0.45) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11945217 0.87 POLB (0.47) CYP3A4CYP2C19POLBPPARGNCOA2

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 CYP3A4 281/4885CYP2C19 461/4885POLB 1088/4885

“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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