SCHEMBL11946045

SCHEMBL11946045

O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)CSc3ccccc3OC(F)(F)F)CC2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ NCOA2 Q15596 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DCTPP1 Q9H773 2/20 0.37
▸ CHRM1 P11229 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ TP53 P04637 2/20 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
SCHEMBL11946046 0.88 MAPT (0.45) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11946033 0.87 MAPT (0.44) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11946054 0.86 MAPT (0.45) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11946041 0.86 NPSR1 (0.45) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11946020 0.86 MAPT (0.49) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11944115 0.84 POLB (0.49) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945215 0.83 MAPT (0.57) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945216 0.83 POLB (0.48) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945228 0.82 POLB (0.50) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11946028 0.82 POLB (0.44) POLBCYP3A4CYP2C19PPARGNCOA2

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 POLB 1088/4885CYP3A4 281/4885CYP2C19 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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