SCHEMBL3788415

SCHEMBL3788415

N#Cc1ccc2c(-c3ccccc3)cn(CC(=O)O)c2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.44
BRD4 O60885 2/20 0.38
PTGS2 P35354 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
CPT2 P23786 1/20 0.35
CPT1A P50416 1/20 0.35
CPT1B Q92523 1/20 0.35
KDM4E B2RXH2 2/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PTGIR P43119 1/20 0.34

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
SCHEMBL13836535 0.79 CFD (0.46) STAT3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL771843 0.76 ALDH1A1 (0.38) BRD4KMT2AALDH1A1MAPK1KDM4E
SCHEMBL4046075 0.76 ALDH1A1 (0.35) BRD4KMT2AMEN1ALDH1A1KDM4E
SCHEMBL772337 0.75 LTA4H (0.39) BRD4KMT2AMEN1
SCHEMBL3788411 0.74 CAMKK2 (0.42) STAT3DDB1CRBNPTGDR2
SCHEMBL3595050 0.67 STAT3 (0.49) STAT3
SCHEMBL771789 0.66 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30456241 0.62 CTSB (0.36) DDB1CRBN
SCHEMBL21596359 0.62 STAT3 (0.58) STAT3KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4326615 0.62 SCN9A (0.49) PTGS2KMT2AMEN1ALDH1A1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 STAT3 73/4885BRD4 446/4885PTGS2 2441/4885

“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.