SCHEMBL11945888

SCHEMBL11945888

CC1(COc2c(N3CCN(S(=O)(=O)NCc4ccncc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.35
▸ POLB P06746 2/20 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
▸ MAPT P10636 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ SLC2A3 P11169 1/20 0.32
▸ CYP17A1 P05093 4/20 0.32
▸ CYP21A2 P08686 4/20 0.32
▸ CYP11B1 P15538 2/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ MMP13 P45452 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL11945979 0.94 POLB (0.40) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945879 0.93 POLB (0.36) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945885 0.92 NAMPT (0.37) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945877 0.92 POLB (0.35) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945876 0.91 MCHR1 (0.37) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945875 0.90 CYP3A4 (0.35) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945874 0.90 POLB (0.34) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945889 0.89 POLB (0.33) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945880 0.89 POLB (0.36) CYP3A4POLBCYP2C19PPARGNCOA2
SCHEMBL11945350 0.88 MAPT (0.39) CYP3A4POLBCYP2C19PPARGNCOA2

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 281/4885POLB 1088/4885CYP2C19 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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