SCHEMBL11943782

SCHEMBL11943782

COc1ccc(-c2c(N3CCN(S(=O)(=O)Cc4ccc(N)cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ MCHR1 Q99705 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOA2 Q15596 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ THRB P10828 2/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ CYP17A1 P05093 1/20 0.33
▸ CYP21A2 P08686 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
SCHEMBL11943641 0.92 MAPT (0.46) MAPTALDH1A1SMN1; SMN2SLC2A1SLC2A3
SCHEMBL11943789 0.92 POLB (0.41) MAPTALDH1A1SLC2A1SLC2A3POLB
SCHEMBL11943788 0.91 MAPT (0.40) MAPTALDH1A1SMN1; SMN2SLC2A1SLC2A3
SCHEMBL11943781 0.89 MAPT (0.42) MAPTALDH1A1TP53SMN1; SMN2POLB
SCHEMBL11943783 0.89 MAPT (0.46) MAPTALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL11943665 0.84 MAPT (0.47) MAPTALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL11943656 0.83 MAPT (0.49) MAPTALDH1A1POLBCYP3A4CYP2C19
SCHEMBL11943742 0.83 MAPT (0.45) MAPTALDH1A1TP53POLBCYP3A4
SCHEMBL11943720 0.83 MAPT (0.48) MAPTALDH1A1SMN1; SMN2POLBCYP3A4
SCHEMBL11943746 0.83 MAPT (0.48) MAPTALDH1A1POLBCYP3A4CYP2C19

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 MAPT 2295/4885MCHR1 4513/4885ALDH1A1 2437/4885

“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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