SCHEMBL11944452

SCHEMBL11944452

CC(C)S(=O)(=O)N1CCN(c2cnn(-c3ccc(CCO)cc3)c(=O)c2OC2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ MCHR1 Q99705 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ DCTPP1 Q9H773 2/20 0.39
▸ NPBWR1 P48145 3/20 0.37
▸ CYP17A1 P05093 1/20 0.37
▸ CYP21A2 P08686 1/20 0.37
▸ CCND1 P24385 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK6 Q00534 1/20 0.36
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPR119 Q8TDV5 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
SCHEMBL11944456 0.93 NPBWR1 (0.42) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944570 0.90 MAPT (0.41) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944871 0.88 ALDH1A1 (0.47) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944101 0.88 ALDH1A1 (0.51) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944902 0.87 MCHR1 (0.53) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944448 0.87 MCHR1 (0.44) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11945061 0.87 ALDH1A1 (0.50) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944474 0.86 ALDH1A1 (0.42) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944823 0.86 MCHR1 (0.55) MAPTMCHR1ALDH1A1DCTPP1NPBWR1
SCHEMBL11944454 0.85 MCHR1 (0.41) MAPTMCHR1ALDH1A1DCTPP1NPBWR1

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 MAPT 2295/4885MCHR1 4513/4885ALDH1A1 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.

Send feedback