SCHEMBL11944417

SCHEMBL11944417

O=c1c(OCc2ccccc2)c(N2CCN(S(=O)(=O)c3ccccn3)CC2)cnn1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.48
▸ DCTPP1 Q9H773 3/20 0.48
▸ MAPK14 Q16539 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ POLB P06746 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ NCOA2 Q15596 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL11944510 0.92 POLB (0.51) MAPTALDH1A1DCTPP1MAPK14CA12
SCHEMBL11944247 0.87 MAPT (0.44) MAPTALDH1A1DCTPP1MAPK14CA12
SCHEMBL11944525 0.86 ALDH1A1 (0.65) MAPTALDH1A1DCTPP1MAPK14POLB
SCHEMBL11943870 0.85 MAPT (0.51) MAPTALDH1A1DCTPP1CA12CA1
SCHEMBL11945099 0.85 MAPT (0.51) MAPTALDH1A1DCTPP1CA12CA1
SCHEMBL11944410 0.85 MAPT (0.57) MAPTALDH1A1DCTPP1MAPK14POLB
SCHEMBL11945253 0.85 ALDH1A1 (0.46) MAPTALDH1A1DCTPP1CA12CA1
SCHEMBL11944537 0.84 MAPT (0.51) MAPTALDH1A1DCTPP1MAPK14CA12
SCHEMBL11943941 0.84 ALDH1A1 (0.46) MAPTALDH1A1DCTPP1CA12CA1
SCHEMBL11944415 0.83 MAPT (0.53) MAPTALDH1A1DCTPP1MAPK14POLB

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 MAPT 2295/4885ALDH1A1 2437/4885DCTPP1 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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