SCHEMBL11944874

SCHEMBL11944874

CC(C)(C)[S+]([O-])N1CCN(c2cnn(-c3cc(F)cc(F)c3)c(=O)c2OC2Cc3ccccc3C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC2A1 P11166 2/20 0.35
▸ SLC2A3 P11169 2/20 0.35
▸ DCTPP1 Q9H773 3/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MCHR1 Q99705 2/20 0.33
▸ NPBWR1 P48145 1/20 0.33
▸ NPC1 O15118 3/20 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
SCHEMBL11944476 0.87 SLC2A1 (0.33) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL14899792 0.86 HPGDS (0.40) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL14899771 0.86 SMN1; SMN2 (0.49) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL11944889 0.83 ALDH1A1 (0.41) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL11943821 0.83 SMN1; SMN2 (0.39) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL17058395 0.82 POLB (0.34) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL17058388 0.82 SMN1; SMN2 (0.36) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL17058117 0.81 HTR1A (0.39) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL17058165 0.80 POLB (0.38) SMN1; SMN2POLBLMNAKMT2ASLC2A1
SCHEMBL17057868 0.79 POLB (0.38) SMN1; SMN2POLBLMNAKMT2ASLC2A1

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 4 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-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
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 SMN1; SMN2 3911/4885POLB 1088/4885LMNA 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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