SCHEMBL11946124

SCHEMBL11946124

Cc1ccc(S(=O)(=O)OCC2(COc3c(N4CCN(C)CC4)cnn(-c4cc(F)cc(F)c4)c3=O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ POLB P06746 3/20 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
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPBWR1 P48145 3/20 0.34
▸ MCHR1 Q99705 3/20 0.34
▸ NR3C1 P04150 3/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ CA12 O43570 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
SCHEMBL11946125 0.84 POLB (0.40) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11946122 0.83 POLB (0.39) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11946167 0.81 POLB (0.38) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL14899804 0.77 CTSK (0.35) POLBKMT2ALMNASMN1; SMN2MCHR1
SCHEMBL14899738 0.76 SMN1; SMN2 (0.43) ALDH1A1NPC1POLBCYP3A4CYP2C19
SCHEMBL11944583 0.76 POLB (0.38) ALDH1A1POLBCYP3A4CYP2C19PPARG
SCHEMBL11944773 0.75 POLB (0.37) ALDH1A1PKMPOLBCYP3A4CYP2C19
SCHEMBL11944485 0.75 POLB (0.37) ALDH1A1PKMPOLBCYP3A4CYP2C19
SCHEMBL11946168 0.75 MCHR1 (0.38) ALDH1A1POLBCYP3A4NPSR1KMT2A
SCHEMBL11944644 0.75 ALDH1A1 (0.39) ALDH1A1NPC1PKMPOLBCYP3A4

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 2437/4885NPC1 2179/4885PKM 241/4885

“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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