SCHEMBL13435226

SCHEMBL13435226

CCOC(=O)c1cc(C)cnc1N(OCc1ccccc1)C(=O)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
ATM Q13315 1/20 0.43
NMT1 P30419 4/20 0.42
NMT2 O60551 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL3516039 0.80 MAPK1 (0.39) L3MBTL1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL16236493 0.79 NPSR1 (0.43) TSHRL3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL3517908 0.75 LMNA (0.41) L3MBTL1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL3515873 0.74 POLB (0.39) TSHRL3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL3516526 0.74 L3MBTL1 (0.55) TSHRL3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL1522806 0.74 L3MBTL1 (0.55) TSHRL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL16236403 0.73 L3MBTL1 (0.54) TSHRL3MBTL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3519261 0.73 L3MBTL1 (0.54) TSHRL3MBTL1MEN1KMT2AHSP90AA1
SCHEMBL3517999 0.72 MEN1 (0.38) L3MBTL1MEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL3517346 0.72 KDM4E (0.43) TSHRMEN1KMT2AALDH1A1SMN1; SMN2

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 TSHR 3624/4885L3MBTL1 2155/4885MEN1 3126/4885

“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.