SCHEMBL2095546

SCHEMBL2095546

CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(N3C[C@@H]4C(NC(=O)OC(C)(C)C)[C@@H]4C3)c(F)c(C)c2c1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.40
P2RX7 Q99572 2/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL2094393 0.93 P2RX7 (0.35) P2RX7MAPTPDE4B
SCHEMBL2093143 0.90 SUV39H2 (0.40) GNRHR
SCHEMBL2094630 0.90 SUV39H2 (0.40) GNRHR
SCHEMBL2091583 0.90 SUV39H2 (0.40) GNRHR
SCHEMBL2093638 0.85 SUV39H2 (0.40) GNRHRP2RX7ALDH1A1POLBTDP1
SCHEMBL2091986 0.84 SUV39H2 (0.39) GNRHRP2RX7
SCHEMBL2093577 0.84 GNRHR (0.47) GNRHRP2RX7MAPTALDH1A1POLB
SCHEMBL2094330 0.84 GNRHR (0.47) GNRHRP2RX7MAPTALDH1A1POLB
SCHEMBL2092425 0.83 PIM3 (0.45)
SCHEMBL2093107 0.83 PIM3 (0.45)

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-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 GNRHR 4352/4885P2RX7 2480/4885MAPT 4388/4885

“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.