SCHEMBL11945751

SCHEMBL11945751

COc1cc(CS(=O)(=O)N2CCN(c3cnn(-c4cc(F)cc(F)c4)c(=O)c3OCC3CC3(F)F)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.36
▸ LMNA P02545 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ NCOA2 Q15596 1/20 0.33
▸ NCOA1 Q15788 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NCOA3 Q9Y6Q9 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ NR2F2 P24468 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.33

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
SCHEMBL11945397 0.90 MAPT (0.37) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL11945757 0.89 MAPT (0.34) MAPTALDH1A1SMN1; SMN2POLBSLC2A1
SCHEMBL11945764 0.84 CYP3A4 (0.34) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL11945457 0.84 MAPT (0.36) MAPTALDH1A1POLBSLC2A1SLC2A3
SCHEMBL11945442 0.84 MAPT (0.42) MAPTLMNAALDH1A1POLBCYP3A4
SCHEMBL11945755 0.82 SMN1; SMN2 (0.40) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL11945690 0.81 POLB (0.42) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL11945436 0.80 MAPT (0.39) MAPTALDH1A1SMN1; SMN2POLBSLC2A1
SCHEMBL11945636 0.80 MAPT (0.40) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL11945664 0.80 POLB (0.42) MAPTLMNAALDH1A1SMN1; SMN2POLB

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 MAPT 2295/4885LMNA 929/4885ALDH1A1 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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