SCHEMBL11945087

SCHEMBL11945087

O=c1c(OCC2CCCO2)c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1-c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ GRM7 Q14831 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL11943971 0.86 GRM7 (0.38) KDM4EMAPTALDH1A1HTTCA12
SCHEMBL11945117 0.86 MAPT (0.41) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL11945164 0.85 MAPT (0.42) KDM4EMAPTALDH1A1HSD11B1CA12
SCHEMBL11945014 0.85 MAPT (0.45) KDM4EMAPTALDH1A1HSD17B10MEN1
SCHEMBL11945088 0.85 KDM4E (0.52) KDM4EALDH1A1HSD11B1CA12CA1
SCHEMBL11945074 0.84 MAPT (0.41) KDM4EMAPTALDH1A1HSD11B1CA12
SCHEMBL11943948 0.82 MAPT (0.42) KDM4EMAPTALDH1A1HSD11B1HTT
SCHEMBL11944290 0.82 MAPT (0.41) KDM4EMAPTALDH1A1HSD11B1HTT
SCHEMBL11943964 0.81 MAPT (0.44) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL11943902 0.81 ALDH1A1 (0.46) KDM4EMAPTALDH1A1HSD11B1CA12

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 KDM4E 1548/4885MAPT 2295/4885ALDH1A1 2437/4885

“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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