SCHEMBL11944121

SCHEMBL11944121

CCOCC(C)Oc1c(N2CCN(S(C)(=O)=O)CC2)cnn(-c2ccccc2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ DCTPP1 Q9H773 4/20 0.58
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MCHR1 Q99705 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ NPBWR1 P48145 1/20 0.35

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
SCHEMBL11945252 0.92 MAPT (0.52) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11944143 0.91 ALDH1A1 (0.56) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11944120 0.89 MAPT (0.54) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11943891 0.84 ALDH1A1 (0.61) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL17058381 0.84 SMN1; SMN2 (0.43) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11944137 0.83 MAPT (0.48) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11944027 0.80 ALDH1A1 (0.57) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11944247 0.79 MAPT (0.44) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11944525 0.79 ALDH1A1 (0.65) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA
SCHEMBL11945050 0.78 MAPT (0.51) ALDH1A1DCTPP1MAPTSMN1; SMN2LMNA

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 ALDH1A1 2437/4885DCTPP1 625/4885MAPT 2295/4885

“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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