SCHEMBL4404786

SCHEMBL4404786

CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(N3CCC[C@H]3CO)c(F)c(C)c2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.43
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35

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
SCHEMBL4406196 0.92 TSHR (0.39) MAPK1TSHRALDH1A1POLBTDP1
SCHEMBL2094330 0.87 GNRHR (0.47) GNRHRMAPK1TSHRALDH1A1POLB
SCHEMBL2093577 0.87 GNRHR (0.47) GNRHRMAPK1TSHRALDH1A1POLB
SCHEMBL4397302 0.85 TSHR (0.44) GNRHRMAPK1TSHRALDH1A1POLB
SCHEMBL4397300 0.85 TSHR (0.44) GNRHRMAPK1TSHRALDH1A1POLB
SCHEMBL4401025 0.85 TSHR (0.44) GNRHRMAPK1TSHRALDH1A1POLB
SCHEMBL4404009 0.83 GNRHR (0.42) GNRHRMAPK1TSHRALDH1A1POLB
SCHEMBL2096038 0.81 GNRHR (0.50) GNRHRALDH1A1POLBTDP1KDM4E
SCHEMBL4393074 0.81 GNRHR (0.44) GNRHRMAPK1TSHRALDH1A1POLB
SCHEMBL4393073 0.81 GNRHR (0.44) GNRHRMAPK1TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632946-B2 Naphthyridine-based antibacterial compositions ABBOTT LABORATORIES (US) 2009-12-15 US disclosed
US-20070088040-A1 Antibacterial compounds ABBVIE INC. 2007-04-19 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-20070088040-A1 Antibacterial compounds MRPL21, FDPS, PGLS GNRHR 4592/4885MAPK1 1217/4885TSHR 4543/4885

“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.