SCHEMBL11945772

SCHEMBL11945772

CC1(COc2c(N3CCN(S(=O)(=O)Cc4cc(-c5ncco5)ccc4N)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.38
▸ DCTPP1 Q9H773 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ EDNRB P24530 3/20 0.33
▸ EDNRA P25101 2/20 0.33
▸ USP9X Q93008 1/20 0.32
▸ PTGDR Q13258 2/20 0.32
▸ GBA1 P04062 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL11945770 0.93 POLB (0.40) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL17058342 0.87 MAPT (0.50) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11945746 0.86 MAPT (0.45) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11945765 0.84 POLB (0.39) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11945315 0.81 MAPT (0.46) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11945336 0.80 MAPT (0.41) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11944574 0.80 MAPT (0.38) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL17058593 0.79 MAPT (0.45) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11945735 0.79 NPSR1 (0.42) MAPTALDH1A1DCTPP1SMN1; SMN2POLB
SCHEMBL11945776 0.78 POLB (0.42) MAPTALDH1A1DCTPP1SMN1; 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 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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