SCHEMBL4161648

SCHEMBL4161648

O=C(O)CCc1c[nH]c2c(=O)[nH]c3c([N+](=O)[O-])cccc3c12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 12/20 0.56
▸ DNA2 P51530 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ PARP1 P09874 2/20 0.48
▸ APEX1 P27695 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3249310 0.80 DNA2 (0.67) FBP1DNA2CASP6CTDSP1PARP1
SCHEMBL4171570 0.77 KDM4E (0.47) PARP1NPC1MAPTMAPK1
SCHEMBL4161885 0.77 PARP1 (0.45) PARP1MAPT
SCHEMBL18509141 0.75 FBP1 (0.51) FBP1
SCHEMBL18509859 0.75 FBP1 (0.48) FBP1DNA2CASP6CTDSP1
SCHEMBL18509279 0.74 FBP1 (0.47) FBP1DNA2CASP6CTDSP1
SCHEMBL18509513 0.74 FBP1 (0.60) FBP1DNA2CASP6CTDSP1
SCHEMBL18509498 0.74 FBP1 (0.47) FBP1
SCHEMBL18509692 0.74 FBP1 (0.47) FBP1DNA2CASP6CTDSP1
SCHEMBL3245558 0.74 CLEC4M (0.52) FBP1DNA2CASP6CTDSP1PARP1

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-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 FBP1 1900/4885DNA2 3006/4885CASP6 1838/4885

“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.

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