SCHEMBL11945425

SCHEMBL11945425

CCOC(=O)[C@@H]1C[C@H]1COc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn(-c2cc(F)cc(F)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPK1 P28482 1/20 0.37
▸ DCTPP1 Q9H773 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL11945025 0.93 MAPT (0.49) NPSR1PKMMAPTTSHRGAA
SCHEMBL11945444 0.88 MAPT (0.44) NPSR1MAPTCYP2C19ALDH1A1KMT2A
SCHEMBL11946146 0.86 MAPT (0.42) NPSR1MAPTCYP2C19ALDH1A1KMT2A
SCHEMBL11945432 0.83 MAPT (0.41) NPSR1PKMMAPTTSHRGAA
SCHEMBL11944009 0.83 MAPT (0.47) NPSR1MAPTTSHRGAACYP2C19
SCHEMBL11946220 0.82 MAPT (0.39) NPSR1MAPTCYP2C19ALDH1A1HSD17B10
SCHEMBL11946130 0.82 MAPT (0.39) NPSR1MAPTCYP2C19ALDH1A1HSD17B10
SCHEMBL11944562 0.82 MAPT (0.38) NPSR1MAPTCYP2C19ALDH1A1DCTPP1
SCHEMBL11945442 0.82 MAPT (0.42) NPSR1MAPTCYP2C19ALDH1A1KMT2A
SCHEMBL11946137 0.81 MAPT (0.46) NPSR1MAPTTSHRGAACYP2C19

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 NPSR1 4251/4885PKM 241/4885MAPT 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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