SCHEMBL4157906

SCHEMBL4157906

CN(C)CCN(C)S(=O)(=O)c1cc2c(cc1F)[nH]c(=O)c1[nH]cc(CCCC(=O)O)c12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
HTR1A P08908 3/20 0.33
NEK1 Q96PY6 1/20 0.32
MPO P05164 2/20 0.31
SLC6A4 P31645 1/20 0.31
CHEK1 O14757 1/20 0.31
CDK1 P06493 1/20 0.31
WEE1 P30291 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SERPINE1 P05121 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
HTR1F P30939 1/20 0.30

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
SCHEMBL4169376 0.90 MPO (0.33) GAAMPOSLC6A4MEN1KMT2A
SCHEMBL4162508 0.85 PKM (0.35) MPOSERPINE1
SCHEMBL4165212 0.85 ALOX5AP (0.34) MPOMEN1KMT2A
SCHEMBL4163996 0.84 GAA (0.46) GAASLC6A4MEN1KMT2AKDM4E
SCHEMBL3245575 0.84 HPGD (0.34) MPOMEN1KMT2AKDM4E
SCHEMBL4161009 0.79 GPR17 (0.36) GAAMEN1KMT2AKDM4E
Butyric Acid SCHEMBL4157908 0.78 KDM4E (0.34) GAAMEN1KMT2AKDM4E
SCHEMBL4156381 0.77 GAA (0.44) GAAHTR1AMPOSLC6A4MEN1
SCHEMBL3245661 0.77 KDM4E (0.34) KDM4E
SCHEMBL3241908 0.76

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 3035/4885HTR1A 4294/4885NEK1 344/4885

“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.