SCHEMBL11945066

SCHEMBL11945066

CCC1CCC(Oc2c(N3CCN(S(C)(=O)=O)CC3)cnn(-c3ccccc3F)c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ DCTPP1 Q9H773 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.43
▸ SCN9A Q15858 6/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPY5R Q15761 1/20 0.37

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
SCHEMBL11945064 0.91 KDM4E (0.55) ALDH1A1SMN1; SMN2HSD17B10SCN9ASCN10A
SCHEMBL11945063 0.89 HSD17B10 (0.44) ALDH1A1HSD17B10SCN9ASCN10AKDM4E
SCHEMBL17057909 0.88 SCN9A (0.38) ALDH1A1HSD17B10SCN9ASCN10AMAPT
SCHEMBL11943942 0.87 TSHR (0.49) ALDH1A1SMN1; SMN2HSD17B10SCN9AKDM4E
SCHEMBL11943944 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2DCTPP1HSD17B10SCN9A
SCHEMBL17058134 0.85 SLC2A1 (0.37) ALDH1A1HSD17B10SCN9ASCN10AKDM4E
SCHEMBL17058337 0.84 SCN9A (0.36) ALDH1A1HSD17B10SCN9ASCN10AKDM4E
SCHEMBL17058435 0.82 SLC2A1 (0.35) SMN1; SMN2HSD17B10SCN9ASCN10AKDM4E
SCHEMBL11945079 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2DCTPP1HSD17B10SCN9A
SCHEMBL11944049 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2DCTPP1HSD17B10MAPT

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 2437/4885SMN1; SMN2 3911/4885DCTPP1 625/4885

“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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