SCHEMBL4132021

SCHEMBL4132021

CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc(Br)c([N+](=O)[O-])c4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.36
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL11945636 0.91 MAPT (0.40) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL4136250 0.89 POLB (0.42) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL11952998 0.89 MAPT (0.36) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL4136489 0.89 MAPT (0.36) MAPTALDH1A1POLBCYP3A4CYP2C19
SCHEMBL11945715 0.89 MAPT (0.36) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL4554373 0.88 POLB (0.41) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL11945290 0.88 MAPT (0.38) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL11944615 0.87 MAPT (0.39) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL11946252 0.86 MAPT (0.37) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL11946273 0.85 MAPT (0.33) MAPTPOLBCYP3A4CYP2C19PPARG

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
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-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 — — US disclosed
EP-2137179-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2009-12-30 — — EP 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
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 — — US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 — — WO 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 2295/4885LMNA 929/4885ALDH1A1 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.

Send feedback