SCHEMBL11945063

SCHEMBL11945063

CCC1CCC(Oc2c(N3CCN(S(=O)(=O)Cc4ccccc4)CC3)cnn(-c3ccccc3F)c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ SCN9A Q15858 3/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ HSD11B1 P28845 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTT P42858 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
SCHEMBL11945064 0.90 KDM4E (0.55) HSD17B10MAPTKDM4EGLASCN9A
SCHEMBL11945027 0.89 MAPT (0.49) HSD17B10MAPTNPSR1PKMGAA
SCHEMBL11945066 0.89 ALDH1A1 (0.49) HSD17B10MAPTKDM4EGLASCN9A
SCHEMBL11945054 0.87 HSD17B10 (0.43) HSD17B10MAPTKDM4EGLASCN9A
SCHEMBL17057909 0.84 SCN9A (0.38) HSD17B10MAPTSCN9ASCN10AGAA
SCHEMBL17058435 0.84 SLC2A1 (0.35) HSD17B10MAPTKDM4ESCN9ASCN10A
SCHEMBL11943957 0.83 HSD17B10 (0.46) HSD17B10MAPTKDM4EGLASCN9A
SCHEMBL11943942 0.83 TSHR (0.49) HSD17B10MAPTKDM4ESCN9APKM
SCHEMBL17058134 0.81 SLC2A1 (0.37) HSD17B10MAPTKDM4ESCN9ASCN10A
SCHEMBL11943983 0.81 MAPT (0.54) HSD17B10MAPTNPSR1PKMGAA

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 HSD17B10 1101/4885MAPT 2295/4885KDM4E 1548/4885

“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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