SCHEMBL11946512

SCHEMBL11946512

O=c1c(OCCc2cccc(CCO)c2)c(N2CCNCC2)cnn1-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ TP53 P04637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTR6 P50406 5/20 0.41
▸ HTR2C P28335 5/20 0.41
▸ HTR2A P28223 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ HTR7 P34969 3/20 0.41
▸ HTR3A P46098 3/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ HTR3E A5X5Y0 1/20 0.41

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
SCHEMBL17058306 0.87 TP53 (0.44) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL17058070 0.83 HTR6 (0.48) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11946511 0.82 POLB (0.46) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11943548 0.82 NPBWR1 (0.45) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL11946175 0.80 HTR6 (0.42) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL16300932 0.80 POLB (0.44) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL17057927 0.78 HTR6 (0.41) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL4131820 0.78 NPBWR1 (0.45) CYP3A4CYP2C19POLBPPARGNCOA2
Hydrochloric Acid SCHEMBL4137286 0.78 NPBWR1 (0.45) CYP3A4CYP2C19POLBPPARGNCOA2
SCHEMBL17058484 0.78 NPBWR1 (0.47) CYP3A4CYP2C19POLBPPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 281/4885CYP2C19 461/4885POLB 1088/4885

“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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