SCHEMBL4163293

SCHEMBL4163293

CN(CCN1CCCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.38
PARP1 P09874 3/20 0.38
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 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
SCHEMBL4163996 0.88 GAA (0.46) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4169887 0.86 KDM4E (0.55) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4160571 0.85 GAA (0.44) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4156381 0.85 GAA (0.44) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3242744 0.85 KDM4E (0.45) GAASIGMAR1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL4164011 0.85 GAA (0.43) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4166405 0.85 KDM4E (0.48) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4157685 0.83 KDM4E (0.48) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4163899 0.83 KDM4E (0.42) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4160049 0.83 KDM4E (0.42) GAAKDM4EALDH1A1HPGDHSD17B10

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 GAA 3035/4885SIGMAR1 3995/4885KDM4E 1970/4885

“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.