SCHEMBL11945377

SCHEMBL11945377

Nc1ccc(CS(=O)(=O)N2CCN(c3cnn(-c4cc(F)cc(F)c4)c(=O)c3OCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ MMP13 P45452 2/20 0.41
▸ MAPT P10636 1/20 0.38
▸ AKT1 P31749 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ MMP14 P50281 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAOB P27338 2/20 0.33
▸ F10 P00742 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
SCHEMBL11945396 0.95 MAPT (0.43) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945372 0.93 POLB (0.40) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945412 0.92 MAPT (0.45) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11946219 0.91 MAPT (0.43) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945368 0.90 MAPT (0.39) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945389 0.90 POLB (0.47) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945366 0.90 MAPT (0.40) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945376 0.89 POLB (0.41) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945435 0.88 MAPT (0.39) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11946218 0.88 MAPT (0.37) 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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