SCHEMBL11945884

SCHEMBL11945884

COc1ccc([N+](=O)[O-])cc1CNS(=O)(=O)N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OCC2(C)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ SLC2A3 P11169 1/20 0.33
▸ POLB P06746 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
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ RORC P51449 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
SCHEMBL11945875 0.90 CYP3A4 (0.35) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL11945881 0.89 MET (0.39) ALDH1A1LMNAPOLBCYP3A4CYP2C19
SCHEMBL11945883 0.88 POLB (0.36) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL11945873 0.86 POLB (0.38) KMT2AMEN1ALDH1A1LMNASLC2A1
SCHEMBL11945879 0.84 POLB (0.36) ALDH1A1SLC2A1SLC2A3POLBCYP3A4
SCHEMBL11945876 0.84 MCHR1 (0.37) ALDH1A1LMNASLC2A1SLC2A3POLB
SCHEMBL11945953 0.84 POLB (0.33) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL11945954 0.84 MEN1 (0.34) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL11945979 0.83 POLB (0.40) KMT2AALDH1A1LMNASLC2A1SLC2A3
SCHEMBL11945878 0.83 MAPT (0.36) ALDH1A1SLC2A1SLC2A3POLBCYP3A4

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 KMT2A 3312/4885MEN1 1830/4885ALDH1A1 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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