SCHEMBL11945280

SCHEMBL11945280

CC(C)COC(=O)N1CC[C@@H](Oc2c(N3CCN(S(=O)(=O)Cc4ccc([N+](=O)[O-])cc4)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.37
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPBWR1 P48145 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL11945282 0.91 GPR119 (0.37) GPR119MAPTPIK3CDCYP2C9KCNH2
SCHEMBL11954081 0.91 GPR119 (0.37) GPR119MAPTPIK3CDCYP2C9KCNH2
SCHEMBL11945306 0.88 GPR119 (0.36) GPR119MAPTPIK3CDNPBWR1MCHR1
SCHEMBL11945380 0.84 ALDH1A1 (0.39) MAPTALDH1A1LMNACYP2C9CYP2C19
SCHEMBL11944978 0.84 ALDH1A1 (0.39) MAPTALDH1A1LMNACYP2C9CYP2C19
SCHEMBL11945276 0.82 MAPT (0.35) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL11945305 0.82 TDP1 (0.35) GPR119MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL11944472 0.82 ALDH1A1 (0.37) MAPTALDH1A1LMNACYP2C9CYP2C19
SCHEMBL11944619 0.81 ALDH1A1 (0.37) MAPTALDH1A1LMNASMN1; SMN2CYP2C19
SCHEMBL11944451 0.79 ALDH1A1 (0.33) MAPTALDH1A1LMNACYP2C19

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 2 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-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 GPR119 1056/4885MAPT 2295/4885ALDH1A1 2437/4885

“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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