SCHEMBL4159935

SCHEMBL4159935

CN(C1CN(C(c2ccccc2)c2ccccc2)C1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.36
HTR1B P28222 2/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 1/20 0.33
RECQL P46063 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 3/20 0.33
PTGDR Q13258 3/20 0.32
TBXA2R P21731 2/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 4/20 0.32
GAA P10253 1/20 0.32
POLB P06746 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 0.87 KDM4E (0.39) HTR1DHTR1BRXFP1KDM4EMEN1
SCHEMBL3250699 0.85 KDM4E (0.39) RXFP1KDM4EMEN1KMT2AADRB2
SCHEMBL4159472 0.84 HTR1D (0.37) HTR1DHTR1BRXFP1KDM4EMEN1
SCHEMBL4157860 0.83 MAPT (0.37) HTR1DHTR1BRXFP1KDM4EMEN1
Butyric Acid SCHEMBL4159937 0.82 RXFP1 (0.40) RXFP1KDM4EMEN1KMT2AADRB2
SCHEMBL3252520 0.81 KDM4E (0.38) RXFP1KDM4EMEN1KMT2AADRB2
SCHEMBL3242992 0.80 RXFP1 (0.35) RXFP1KDM4EMEN1KMT2AADRB2
SCHEMBL4169887 0.79 KDM4E (0.55) RXFP1KDM4EMEN1KMT2AADRB2
SCHEMBL4163293 0.78 GAA (0.41) HTR1DHTR1BKDM4EMEN1KMT2A
SCHEMBL4163996 0.78 GAA (0.46) RXFP1KDM4EMEN1KMT2AADRB2

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 4141/4885RXFP1 3999/4885

“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.