SCHEMBL4159472

SCHEMBL4159472

CN(C1CCNCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 4/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 2/20 0.33
MEN1 O00255 1/20 0.33
ADRB2 P07550 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR Q13258 2/20 0.32
USP2 O75604 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TBXA2R P21731 1/20 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
SCHEMBL4166910 0.95 KDM4E (0.39) HTR1DHTR1BKDM4EMAPTGAA
SCHEMBL4157860 0.91 MAPT (0.37) HTR1DHTR1BKDM4EMAPTGAA
Hydrochloric Acid SCHEMBL4157861 0.87 SLC6A2 (0.45) KDM4EMAPTSLC6A2SLC6A4GAA
Hydrochloric Acid SCHEMBL4157858 0.87 SLC6A2 (0.45) KDM4EMAPTSLC6A2SLC6A4GAA
SCHEMBL4159935 0.84 HTR1D (0.36) HTR1DHTR1BKDM4EMAPTGAA
SCHEMBL3247121 0.84 GAA (0.44) KDM4EMAPTSLC6A2SLC6A4GAA
SCHEMBL4169887 0.84 KDM4E (0.55) KDM4EMAPTGAAALDH1A1LMNA
SCHEMBL4164931 0.83 PARG (0.45) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL4155240 0.83 KDM4E (0.35) KDM4EMAPTSLC6A2SLC6A4GAA
SCHEMBL4163996 0.82 GAA (0.46) KDM4EMAPTSLC6A4GAAALDH1A1

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 HTR1D 4632/4885HTR1B 4141/4885KDM4E 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.