SCHEMBL3515172

SCHEMBL3515172

O=C(O)C[C@H](NC(=O)c1c(O)c2cccnc2n(Cc2nc3ccccc3s2)c1=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
CNR2 P34972 7/20 0.46
CNR1 P21554 2/20 0.46
AKR1B1 P15121 7/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38

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
SCHEMBL27772254 0.88 CNR2 (0.47) EGLN2EGLN1EGLN3CNR2CNR1
SCHEMBL3515918 0.88 CNR2 (0.47) EGLN2EGLN1EGLN3CNR2CNR1
SCHEMBL3512508 0.85 EGLN1 (0.61) EGLN2EGLN1EGLN3CNR2CNR1
SCHEMBL27793216 0.78 AKR1B1 (0.44) EGLN1CNR2CNR1AKR1B1ALDH1A1
SCHEMBL3515031 0.78 AKR1B1 (0.44) EGLN1CNR2CNR1AKR1B1ALDH1A1
SCHEMBL3515661 0.78 KDM4E (0.48) EGLN2EGLN1EGLN3CNR2CNR1
SCHEMBL4566579 0.77 CNR2 (0.54) EGLN2EGLN1EGLN3CNR2CNR1
SCHEMBL3512643 0.77 CNR2 (0.54) EGLN2EGLN1EGLN3CNR2CNR1
SCHEMBL3512358 0.77 CNR2 (0.54) EGLN2EGLN1EGLN3CNR2CNR1
SCHEMBL3513747 0.75 EGLN1 (0.49) EGLN2EGLN1EGLN3CNR2CNR1

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 EGLN2 3/4885EGLN1 5/4885EGLN3 4/4885

“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.