SCHEMBL11945001

SCHEMBL11945001

CCCS(=O)(=O)N1CCN(c2cnn(C)c(=O)c2OC2Cc3ccccc3C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ GLA P06280 1/20 0.47
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ PKM P14618 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ BRD9 Q9H8M2 4/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ BRPF1 P55201 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ BRD7 Q9NPI1 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TRPC5 Q9UL62 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL11943881 0.87 MTOR (0.45) HSD17B10MAPTALDH1A1GAANPSR1
SCHEMBL11945056 0.85 KDM4E (0.58) KDM4EGLAHSD17B10MAPTALDH1A1
SCHEMBL11945057 0.84 MAPT (0.52) KDM4EGLAHSD17B10MAPTALDH1A1
SCHEMBL11945044 0.83 MAPT (0.53) KDM4EGLAHSD17B10MAPTPKM
SCHEMBL11945055 0.83 MAPT (0.48) KDM4EGLAHSD17B10MAPTPKM
SCHEMBL11945000 0.80 MAPT (0.48) KDM4EMAPTPKMNPC1ALDH1A1
SCHEMBL11943936 0.79 KDM4E (0.49) KDM4EGLAHSD17B10MAPTALDH1A1
SCHEMBL11944848 0.78 KDM4E (0.43) KDM4EGLAHSD17B10MAPTPKM
SCHEMBL11943934 0.77 MAPT (0.50) KDM4EMAPTPKMALDH1A1GAA
SCHEMBL11946015 0.76 MAPT (0.52) KDM4EGLAMAPTNPC1ALDH1A1

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 1548/4885GLA 86/4885HSD17B10 1101/4885

“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.

Send feedback