SCHEMBL3517530

SCHEMBL3517530

COC(=O)c1ccc2c(c1)CCN(c1cc(=O)n(O)c3ncccc13)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
ACACB O00763 1/20 0.37
HDAC8 Q9BY41 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
HDAC11 Q96DB2 1/20 0.35
SCN9A Q15858 1/20 0.35
LMNA P02545 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
SCHEMBL3517419 0.96 OPRM1 (0.42) HDAC6OPRM1OPRD1OPRK1OGFRL1
SCHEMBL3516317 0.83 SMN1; SMN2 (0.41) HDAC6ALDH1A1PRMT5WDR77LMNA
SCHEMBL3516245 0.83 GRIN2D (0.46) PRMT5LMNAGRIN2DGRIN3BGRIN1
SCHEMBL3515913 0.80 OPRK1 (0.39) HDAC6OPRM1OPRD1OPRK1OGFRL1
SCHEMBL3514800 0.79 ROCK2 (0.42) HDAC6HDAC11LMNAMEN1KMT2A
SCHEMBL3514866 0.78 HDAC6 (0.45) HDAC6PRMT5LMNAGRIN2DGRIN3B
SCHEMBL3514803 0.77 ADAMTS4 (0.43) HTTALDH1A1MEN1KMT2A
SCHEMBL3516376 0.76 MAPT (0.42) OPRM1PRMT5WDR77
SCHEMBL3519168 0.76 GPR142 (0.39) PRMT5WDR77LMNAGRIN2DGRIN3B
SCHEMBL3515997 0.74 GRIN2D (0.39) PRMT5WDR77GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL HDAC6 2573/4885OPRM1 1798/4885OPRD1 707/4885

“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.