SCHEMBL3249689

SCHEMBL3249689

CCCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(S(=O)(=O)N(CCO)CCO)cc3c12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.42
ALDH1A1 P00352 9/20 0.42
HSD17B10 Q99714 6/20 0.42
HPGD P15428 4/20 0.42
USP2 O75604 2/20 0.42
GAA P10253 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 3/20 0.37
ESR1 P03372 1/20 0.37
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3245537 0.93 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3246010 0.91 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3251345 0.88 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3255500 0.87 KDM4E (0.40) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3250883 0.86 RXFP1 (0.40) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3249572 0.85 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL13950919 0.85 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3256134 0.85 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL3247255 0.85 RXFP1 (0.42) KDM4EALDH1A1HSD17B10HPGDUSP2
SCHEMBL13928162 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDUSP2

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 1970/4885ALDH1A1 3830/4885HSD17B10 3847/4885

“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.