SCHEMBL11944634

SCHEMBL11944634

CC1(COc2c(N3CCN(S(=O)(=O)Cc4cccc([N+](=O)[O-])c4)CC3)cnn(-c3cccc(C(F)(F)F)c3)c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.41
▸ NPBWR1 P48145 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ ENPP2 Q13822 1/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C19 P33261 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
▸ SLC6A9 P48067 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11944632 0.94 NPBWR1 (0.39) METNPBWR1MCHR1ENPP2MAPT
SCHEMBL11946250 0.91 CXCR3 (0.38) NPBWR1MCHR1MAPTPOLBCYP3A4
SCHEMBL11944383 0.90 POLB (0.45) NPBWR1MCHR1ENPP2MAPTPOLB
SCHEMBL11944624 0.90 NPBWR1 (0.40) NPBWR1MCHR1MAPTPOLBCYP3A4
SCHEMBL11944620 0.87 NPBWR1 (0.40) NPBWR1MCHR1MAPTPOLBCYP3A4
SCHEMBL11946249 0.87 NPBWR1 (0.39) NPBWR1MCHR1MAPTPOLBCYP3A4
SCHEMBL11944648 0.86 MET (0.41) METNPBWR1MCHR1ENPP2KCNH2
SCHEMBL11945383 0.85 POLB (0.45) METNPBWR1MCHR1ENPP2MAPT
SCHEMBL11945662 0.84 POLB (0.43) NPBWR1MCHR1MAPTPOLBCYP3A4
SCHEMBL11944363 0.84 POLB (0.46) NPBWR1MCHR1ENPP2MAPTPOLB

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 MET 4221/4885NPBWR1 4643/4885MCHR1 4513/4885

“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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