SCHEMBL4157595

SCHEMBL4157595

O=C(O)C1CCCC1.O=c1[nH]c2ccc(S(=O)(=O)NC3CCNCC3)cc2c2cc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.50
TDP1 Q9NUW8 2/20 0.46
BRAF P15056 1/20 0.46
ALDH1A1 P00352 4/20 0.40
KDR P35968 1/20 0.40
TSHR P16473 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL4162566 0.89 PARG (0.48) PARGTDP1BRAFALDH1A1TSHR
Propionic Acid SCHEMBL4168582 0.88 PARG (0.51) PARGTDP1BRAFALDH1A1KDR
Butyric Acid SCHEMBL4164937 0.86 PARG (0.49) PARGTDP1BRAFALDH1A1KDR
SCHEMBL4713589 0.85 TDP1 (0.61) PARGTDP1BRAFALDH1A1TSHR
SCHEMBL4159594 0.85 PARG (0.46) PARGTDP1BRAFALDH1A1KDR
Valeric Acid SCHEMBL4165049 0.84 PARG (0.47) PARGTDP1BRAFALDH1A1KDR
Propionic Acid SCHEMBL4153174 0.84 TDP1 (0.56) PARGTDP1BRAFALDH1A1TSHR
Propionic Acid SCHEMBL4157652 0.84 TDP1 (0.56) PARGTDP1BRAFALDH1A1TSHR
Hexanoate SCHEMBL4163007 0.84 PARG (0.46) PARGTDP1BRAFALDH1A1KDR
Propionic Acid SCHEMBL4153577 0.82 PARG (0.57) PARGTDP1BRAFALDH1A1TAS2R14

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 2 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 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 PARG 3507/4885TDP1 1098/4885BRAF 38/4885

“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.