SCHEMBL3515031

SCHEMBL3515031

C[C@H](NC(=O)c1c(O)c2cccnc2n(Cc2nc3cc(Cl)ccc3s2)c1=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.44
CNR2 P34972 9/20 0.44
CNR1 P21554 3/20 0.44
BBOX1 O75936 2/20 0.38
EGLN1 Q9GZT9 2/20 0.38
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
FTO Q9C0B1 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CG P48736 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL27793216 1.00 AKR1B1 (0.44) AKR1B1CNR2CNR1BBOX1EGLN1
SCHEMBL27772254 0.90 CNR2 (0.47) AKR1B1CNR2CNR1EGLN1HTR3E
SCHEMBL3515918 0.90 CNR2 (0.47) AKR1B1CNR2CNR1EGLN1HTR3E
SCHEMBL3513747 0.86 EGLN1 (0.49) AKR1B1CNR2CNR1EGLN1HDAC6
SCHEMBL3515172 0.78 EGLN2 (0.46) AKR1B1CNR2CNR1EGLN1HTR3E
SCHEMBL3513909 0.75 CNR2 (0.58) CNR2CNR1EGLN1HTR3EHTR3B
SCHEMBL3512393 0.75 CNR2 (0.58) CNR2CNR1EGLN1HTR3EHTR3B
SCHEMBL3512508 0.75 EGLN1 (0.61) AKR1B1CNR2CNR1EGLN1KDM4E
SCHEMBL3514775 0.73 EGLN1 (0.56) CNR2CNR1EGLN1HTR3EHTR3B
SCHEMBL27793219 0.73 EGLN1 (0.56) CNR2CNR1EGLN1HTR3EHTR3B

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 5 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
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 AKR1B1 429/4885CNR2 2485/4885CNR1 1567/4885

“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.