SCHEMBL13776973

SCHEMBL13776973

CCOCCOc1c(N2CCN([SH](=O)=O)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ DCTPP1 Q9H773 4/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MCHR1 Q99705 1/20 0.37
▸ PFKFB3 Q16875 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
SCHEMBL11943539 0.90 SMN1; SMN2 (0.58) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11943546 0.87 MAPT (0.45) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11943891 0.86 ALDH1A1 (0.61) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL14899802 0.85 ALDH1A1 (0.46) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11944374 0.85 ALDH1A1 (0.57) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11945091 0.84 MAPT (0.52) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11943939 0.84 MAPT (0.52) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11945060 0.84 MAPT (0.57) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11945198 0.83 MAPT (0.52) MAPTSMN1; SMN2LMNAPOLBKMT2A
SCHEMBL11944695 0.83 MAPT (0.52) MAPTSMN1; SMN2LMNAPOLBKMT2A

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 2295/4885SMN1; SMN2 3911/4885LMNA 929/4885

“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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