SCHEMBL11945270

SCHEMBL11945270

COCC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc([N+](=O)[O-])cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ LMNA P02545 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ USP7 Q93009 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ CXCR3 P49682 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL11946129 0.94 MAPT (0.37) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945261 0.92 ALDH1A1 (0.35) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945303 0.91 MAPT (0.34) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11944451 0.91 ALDH1A1 (0.33) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945271 0.90 MAPT (0.37) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11944464 0.90 MAPT (0.43) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11944592 0.88 ALDH1A1 (0.32) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11944636 0.87 ALDH1A1 (0.36) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945376 0.86 POLB (0.41) POLBCYP3A4CYP2C19PPARGNCOA2
SCHEMBL11945311 0.85 MAPT (0.34) 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.

Send feedback