SCHEMBL4166122

SCHEMBL4166122

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.34
JAK3 P52333 1/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LTA4H P09960 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
BRD4 O60885 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL4716605 0.83 PARP1 (0.42) PARP1KDM4EGABRA1GABRG2GABRB3
SCHEMBL4160378 0.83 NPC1 (0.42) PARP1KDM4EHSD17B10ALDH1A1
Propionic Acid SCHEMBL4169911 0.81 GABRA1 (0.41) PARP1KDM4EGABRA1GABRG2GABRB3
Butyric Acid SCHEMBL4166328 0.79 GABRA1 (0.40) PARP1KDM4EGABRA1GABRG2GABRB3
SCHEMBL4159560 0.77 VCP (0.41) MAPK10JAK3BRD4
3-Methylbutanoic Acid SCHEMBL4158440 0.77 GABRA1 (0.36) PARP1KDM4EGABRA1GABRG2GABRB3
SCHEMBL4157595 0.76 PARG (0.50) KDM4EBRD4ALDH1A1
SCHEMBL4162566 0.74 PARG (0.48) PARP1KDM4EHSD17B10ALDH1A1
Propionic Acid SCHEMBL4153652 0.70 MAOA (0.39) MAPK10KDM4EBRD4HSD17B10ALDH1A1
Propionic Acid SCHEMBL4160991 0.70 BRD4 (0.39) PARP1KDM4EBRD4HSD17B10ALDH1A1

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 3 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-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 MAPK10 102/4885JAK3 171/4885PARP1 628/4885

“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.