SCHEMBL11943174

SCHEMBL11943174

O=c1c(NC2CCN(Cc3ccccc3)CC2)c(N2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)cnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ DCTPP1 Q9H773 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL11943181 0.88 NR2F2 (0.47) MAPTALDH1A1DCTPP1HTTPOLB
SCHEMBL13329196 0.83 ALDH1A1 (0.49) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11943310 0.82 ALDH1A1 (0.48) MAPTALDH1A1DCTPP1MAPK1DRD2
SCHEMBL13304363 0.80 MAPT (0.51) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL13304402 0.77 SMN1; SMN2 (0.52) MAPTALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL11943292 0.76 MAPT (0.50) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11943270 0.76 MAPT (0.48) MAPTDCTPP1SMN1; SMN2MAPK1HTT
SCHEMBL11943295 0.76 MAPT (0.53) MAPTALDH1A1DCTPP1SMN1; SMN2MAPK1
SCHEMBL11943268 0.75 DCTPP1 (0.42) ALDH1A1DCTPP1SMN1; SMN2
SCHEMBL11943275 0.75 FAAH (0.52) MAPTALDH1A1CHRM1

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
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-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — US disclosed
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2010-06-24 — — 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 (2 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 2295/4885ALDH1A1 2437/4885DCTPP1 625/4885
US-20100158992-A1 PIPERAZINE-SUBSTITUTED PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS DPM1, GMPS, MAN2A1 MAPT 3651/4885ALDH1A1 2003/4885DCTPP1 209/4885

“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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