SCHEMBL3513316

SCHEMBL3513316

CC(C)(C)c1csc(Cn2c(=O)c(C(=O)NCC(=O)O)c(O)c3cccnc32)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.51
EGLN3 Q9H6Z9 2/20 0.51
EGLN2 Q96KS0 1/20 0.51
CNR2 P34972 7/20 0.48
TSHR P16473 4/20 0.46
TP53 P04637 2/20 0.46
STAT1 P42224 1/20 0.46
CNR1 P21554 3/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.44
KDM4E B2RXH2 4/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.40
BBOX1 O75936 1/20 0.40
ASPH Q12797 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
SCHEMBL3513690 0.85 EGLN1 (0.48) EGLN1EGLN3EGLN2CNR2TSHR
SCHEMBL3513730 0.81 EGLN1 (0.48) EGLN1EGLN3EGLN2CNR2TSHR
SCHEMBL2086992 0.81 CNR2 (0.61) EGLN1EGLN3EGLN2CNR2TSHR
SCHEMBL3514578 0.80 EGLN1 (0.60) EGLN1EGLN3EGLN2CNR2TP53
SCHEMBL2087702 0.79 EGLN1 (0.71) EGLN1EGLN3EGLN2CNR2CNR1
SCHEMBL3512508 0.79 EGLN1 (0.61) EGLN1EGLN3EGLN2CNR2TSHR
SCHEMBL2088540 0.79 EGLN1 (0.53) EGLN1CNR2TSHRTP53CNR1
SCHEMBL3512025 0.77 EGLN1 (0.61) EGLN1EGLN3EGLN2CNR2TP53
SCHEMBL2085626 0.76 HIF1A (0.59) EGLN1CNR2CNR1BBOX1ASPH
SCHEMBL2087085 0.76 EGLN3 (0.63) EGLN1EGLN3CNR2TP53CNR1

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 9 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
EP-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP claimed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO 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 EGLN1 5/4885EGLN3 4/4885EGLN2 3/4885

“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.