SCHEMBL5348758

SCHEMBL5348758

O=C(O)Nc1nc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.65
▸ DYRK1A Q13627 1/20 0.60
▸ MAPT P10636 7/20 0.58
▸ HTT P42858 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ KMT2A Q03164 4/20 0.57
▸ MMP13 P45452 2/20 0.56
▸ NOD2 Q9HC29 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ ACP1 P24666 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ CXCR2 P25025 1/20 0.53

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
SCHEMBL14375443 0.89 SCD (0.69) SCDDYRK1AMAPTHTTGAA
SCHEMBL16732745 0.86 DYRK1A (0.78) DYRK1AMAPTHTTKMT2AMMP13
SCHEMBL5357648 0.83 SCD (0.62) SCDDYRK1AMAPTHTTHPGD
SCHEMBL16317399 0.82 SCD (0.54) SCDDYRK1AMAPTHTTGAA
SCHEMBL5358084 0.82 SCD (0.50) SCDDYRK1AMAPTHTTGAA
SCHEMBL5352456 0.82 NPC1 (0.61) SCDDYRK1AMAPTHTTGAA
SCHEMBL5350882 0.81 PTPN1 (0.64) SCDDYRK1AMAPTHPGDKMT2A
SCHEMBL14375386 0.80 SMN1; SMN2 (0.72) SCDMAPTHTTKMT2ASMN1; SMN2
SCHEMBL4921041 0.79 SCD (1.00) SCDMAPTHPGDKMT2AMMP13
SCHEMBL5343556 0.78 CYP3A4 (0.72) SCDMAPTHTTGAAHPGD

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-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 — — US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 — — EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 — — 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 SCD 4477/4885DYRK1A 2174/4885MAPT 2991/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 SCD 4477/4885DYRK1A 2174/4885MAPT 2991/4885

“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.

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