SCHEMBL11943902

SCHEMBL11943902

CCCCCOc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn(-c2ccccn2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ HSD11B1 P28845 1/20 0.41
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ DCTPP1 Q9H773 1/20 0.38
▸ SMO Q99835 1/20 0.37

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
SCHEMBL11945076 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTHSD17B10HSD11B1
SCHEMBL11943866 0.89 MAPT (0.56) ALDH1A1MAPTKMT2AGAATSHR
SCHEMBL11945026 0.89 MEN1 (0.50) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL11943907 0.88 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTHSD17B10MEN1
SCHEMBL11943916 0.84 MAPT (0.51) ALDH1A1MAPTHSD11B1GAATSHR
SCHEMBL11944004 0.84 MAPT (0.47) ALDH1A1KDM4EMAPTHSD17B10HSD11B1
SCHEMBL11943948 0.83 MAPT (0.42) ALDH1A1KDM4EMAPTHSD17B10HSD11B1
SCHEMBL11945164 0.83 MAPT (0.42) ALDH1A1KDM4EMAPTHSD17B10HSD11B1
SCHEMBL11943882 0.83 MAPT (0.51) ALDH1A1MAPTGAATSHRCYP2C19
SCHEMBL11944989 0.83 MAPT (0.52) ALDH1A1KDM4EMAPTHSD17B10KMT2A

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 2437/4885KDM4E 1548/4885MAPT 2295/4885

“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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