SCHEMBL3245847

SCHEMBL3245847

CCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(I)cc3c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 5/20 0.41
GABRA1 P14867 4/20 0.41
GABRA3 P34903 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRA6 Q16445 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
GABRB2 P47870 3/20 0.39
GABRB1 P18505 2/20 0.39
CLEC4M Q9H2X3 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3253875 0.91 GABRA1 (0.50) KDM4EHSD17B10ALDH1A1GABRA1GABRA3
SCHEMBL3254227 0.86 ALDH1A1 (0.47) KDM4EHSD17B10ALDH1A1GABRA1GABRA3
SCHEMBL3243089 0.80 CYP1A2 (0.45) KDM4EHSD17B10ALDH1A1
SCHEMBL27774056 0.79 GABRA1 (0.60) HSD17B10ALDH1A1GABRA1GABRA3MEN1
SCHEMBL3251000 0.79 KDM4E (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3249689 0.79 KDM4E (0.42) KDM4EHSD17B10ALDH1A1TSHRLMNA
SCHEMBL3251640 0.78 MMP9 (0.37) KDM4EHSD17B10ALDH1A1GABRA1GABRA3
SCHEMBL3256134 0.78 KDM4E (0.53) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3255500 0.78 KDM4E (0.40) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3254810 0.78 PARG (0.48) KDM4EHSD17B10ALDH1A1TSHRLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP claimed
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
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
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 KDM4E 1970/4885HSD17B10 3847/4885ALDH1A1 3830/4885

“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.