SCHEMBL3514655

SCHEMBL3514655

CCOC(=O)Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2cccnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
EGLN1 Q9GZT9 2/20 0.48
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
TSHR P16473 2/20 0.47
PKM P14618 1/20 0.47
CNR2 P34972 6/20 0.47
CNR1 P21554 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX12 P18054 1/20 0.44

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
SCHEMBL3514578 0.81 EGLN1 (0.60) EGLN1CNR2CNR1TP53EGLN3
SCHEMBL2087702 0.81 EGLN1 (0.71) EGLN1KDM4EALDH1A1LMNACNR2
SCHEMBL2086548 0.80 HTR3E (0.51) MEN1KMT2AEGLN1KDM4EALDH1A1
SCHEMBL2085891 0.80 CNR2 (0.50) EGLN1KDM4EALDH1A1LMNATSHR
SCHEMBL2088540 0.80 EGLN1 (0.53) EGLN1KDM4EALDH1A1LMNATSHR
SCHEMBL2576889 0.80 EGLN1 (0.59) MEN1KMT2AEGLN1KDM4EALDH1A1
SCHEMBL3512688 0.80 EGLN1 (0.52) EGLN1KDM4EALDH1A1LMNATSHR
SCHEMBL3512025 0.78 EGLN1 (0.61) EGLN1CNR2CNR1TP53EGLN3
SCHEMBL3513730 0.77 EGLN1 (0.48) EGLN1KDM4EALDH1A1LMNATSHR
SCHEMBL2085626 0.77 HIF1A (0.59) EGLN1CNR2CNR1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-04 US claimed
US-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
US-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
EP-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP disclosed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO 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-20100056563-A1 NOVEL 1.8-NAPHTHYRIDINE COMPOUNDS HIF1AN, HIF1A, EGLN2 MEN1 3033/4885KMT2A 348/4885EGLN1 5/4885

“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.