SCHEMBL11946406

SCHEMBL11946406

CC(C)(C)COc1c(N2CCN(S(=O)(=O)Cc3ccc(-n4ccnc4)cc3)CC2)cnn(-c2cc(F)cc(F)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ CYP17A1 P05093 9/20 0.34
▸ CYP21A2 P08686 7/20 0.34
▸ CYP11B1 P15538 7/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ DCTPP1 Q9H773 1/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL11946392 0.88 MAPT (0.35) MAPTCYP17A1CYP21A2CYP11B1NPSR1
SCHEMBL11946409 0.88 POLB (0.43) MAPTCYP17A1CYP21A2CYP11B1NPSR1
SCHEMBL11945435 0.87 MAPT (0.39) MAPTCYP17A1CYP21A2CYP11B1NPSR1
SCHEMBL11945421 0.87 MAPT (0.39) MAPTCYP17A1CYP21A2CYP11B1NPSR1
SCHEMBL11946256 0.83 MAPT (0.37) MAPTCYP17A1CYP21A2CYP11B1NPSR1
SCHEMBL11945452 0.82 MAPT (0.40) MAPTNPSR1CYP3A4POLBCYP2C19
SCHEMBL11944638 0.80 MAPT (0.37) MAPTNPSR1CYP3A4POLBCYP2C19
SCHEMBL11944291 0.79 MAPT (0.38) MAPTCYP17A1CYP21A2CYP11B1NPSR1
SCHEMBL11944190 0.79 NPSR1 (0.40) MAPTNPSR1CYP3A4POLBCYP2C19
SCHEMBL11946407 0.78 CYP3A4 (0.42) MAPTCYP17A1CYP21A2CYP11B1NPSR1

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 2295/4885CYP17A1 744/4885CYP21A2 1120/4885

“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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