SCHEMBL11944978

SCHEMBL11944978

O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cnn1-c1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP2C19 P33261 3/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DCTPP1 Q9H773 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ NR1D1 P20393 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
SCHEMBL11945380 0.98 ALDH1A1 (0.39) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11944976 0.92 ALDH1A1 (0.38) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11944472 0.91 ALDH1A1 (0.37) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11945378 0.91 ALDH1A1 (0.38) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11945605 0.90 MAPT (0.36) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11945622 0.90 MAPT (0.36) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11945166 0.90 MAPT (0.45) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11944619 0.89 ALDH1A1 (0.37) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11944488 0.89 MAPT (0.39) ALDH1A1MAPTLMNACYP2C19CYP3A4
SCHEMBL11945123 0.89 MAPT (0.44) ALDH1A1MAPTLMNACYP2C19CYP3A4

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 ALDH1A1 2437/4885MAPT 2295/4885LMNA 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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