SCHEMBL11945028

SCHEMBL11945028

O=c1c(OCc2ccccn2)c(N2CCN(S(=O)(=O)c3ccccc3)CC2)cnn1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 1/20 0.49
▸ DCTPP1 Q9H773 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ POLB P06746 4/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ NCOA2 Q15596 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ GAA P10253 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ USP2 O75604 2/20 0.42

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
SCHEMBL11943928 0.88 MAPT (0.52) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11945043 0.88 MAPT (0.49) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11945049 0.85 ALDH1A1 (0.55) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11943926 0.84 POLB (0.56) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11945032 0.83 ALDH1A1 (0.57) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11944417 0.83 MAPT (0.49) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11945033 0.82 ALDH1A1 (0.56) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11945047 0.81 ALDH1A1 (0.56) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB
SCHEMBL11943924 0.81 ALDH1A1 (0.54) ALDH1A1MAPTDCTPP1POLBCYP3A4
SCHEMBL11943910 0.81 ALDH1A1 (0.57) ALDH1A1MAPTDCTPP1SMN1; SMN2POLB

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 ALDH1A1 2437/4885MAPT 2295/4885DCTPP1 625/4885

“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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