SCHEMBL2092397

SCHEMBL2092397

CCOC(=O)c1cn(Cc2ccc(OC)cc2OC)c2nc(N3CCC(N(C)C(=O)OC(C)(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.39
GNRHR P30968 6/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
ATP6V1B2 P21281 1/20 0.36
TBXA2R P21731 1/20 0.36
EDNRA P25101 1/20 0.36
TARBP2 Q15633 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
DPP4 P27487 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
SCHEMBL2093578 0.92 LMNA (0.42) PDE10AALDH1A1POLBKMT2ALMNA
SCHEMBL2092227 0.92 PDE10A (0.40) PDE10APOLBKMT2ALMNACYP2C9
SCHEMBL2093152 0.87 SUV39H2 (0.40) PDE10A
SCHEMBL2093348 0.87 SUV39H2 (0.40) PDE10A
SCHEMBL2093477 0.83 LMNA (0.46) GNRHRALDH1A1POLBTDP1TSHR
SCHEMBL2095363 0.83 LMNA (0.46) GNRHRALDH1A1POLBTDP1TSHR
SCHEMBL2092595 0.80 GNRHR (0.38) GNRHRALDH1A1POLBTDP1TSHR
SCHEMBL2094713 0.79 LMNA (0.43) PDE10AKMT2ALMNACYP2C9ATP6V1B2
SCHEMBL2094242 0.79 LMNA (0.43) PDE10AKMT2ALMNACYP2C9ATP6V1B2
SCHEMBL2094910 0.78 SUV39H2 (0.41) PDE10A

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 PDE10A 1661/4885GNRHR 4352/4885ALDH1A1 292/4885

“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.