SCHEMBL930493

SCHEMBL930493

CC(=O)Nc1ccc(Oc2ccc(N)c(N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
LMNA P02545 3/20 0.59
MAPT P10636 1/20 0.59
NR4A1 P22736 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 2/20 0.54
PFKFB1 P16118 1/20 0.53
HPGD P15428 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
HSD17B10 Q99714 1/20 0.51
BRAF P15056 5/20 0.50
HDAC1 Q13547 5/20 0.50

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
SCHEMBL11645671 0.88 MTNR1A (0.58) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL11642610 0.88 MTNR1A (0.58) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL4366143 0.86 MTNR1A (0.57) MTNR1AMTNR1BLMNANR4A1MEN1
SCHEMBL6516221 0.84 KMT2A (0.73) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL3547563 0.83 PKM (0.62) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL19559835 0.83 BRAF (0.73) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL5352381 0.82 MAPT (0.64) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL463887 0.81 MTNR1B (0.71) MTNR1AMTNR1BLMNAMAPTMEN1
SCHEMBL7509092 0.81 TDP1 (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL30442658 0.81 TDP1 (0.60) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875727-B2 methyl [5(6)-(4-alanylaminophenylthio)-1H-benzimidazol-2yl]carbamate; for treating neovascularization, solid tumors, macular degeneration, diabetic retinopathy, rheumatoid arthritis, psoriasis, and atherosclerosis ANGIOGENE PHARMACEUTICALS LTD. (GB) 2011-01-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
EP-1140078-B1 BENZIMIDAZOLE VASCULAR DAMAGING AGENTS ANGIOGENE PHARM LTD (GB) 2007-08-29 EP disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20060264492-A1 Benzimidazole vascular damaging agents ANGIOGENE PHARMACEUTICALS LTD. 2006-11-23 US disclosed
US-7081469-B2 Benzimidazole vascular damaging agents ANGIOGENE PHARMACEUTICALS LTD. (GB) 2006-07-25 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20040058972-A1 Benzimidazole vascular damaging agents DAVIS PETER DAVID (GB) 2004-03-25 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
EP-1140078-A2 BENZIMIDAZOLE VASCULAR DAMAGING AGENTS Angiogene Pharmaceuticals Ltd (GB) 2001-10-10 EP disclosed
WO-2000041669-A2 BENZIMIDAZOLE VASCULAR DAMAGING AGENTS ANGIOGENE PHARMACEUTICALS LTD. (GB) 2000-07-20 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 (4 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-20040058972-A1 Benzimidazole vascular damaging agents FLT1, FLT4, PCNA MTNR1A 2944/4885MTNR1B 3582/4885LMNA 1447/4885
US-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 MTNR1A 2937/4885MTNR1B 1843/4885LMNA 2801/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 MTNR1A 2937/4885MTNR1B 1843/4885LMNA 2801/4885
US-20060264492-A1 Benzimidazole vascular damaging agents FLT4, PCNA, FLT1 MTNR1A 3424/4885MTNR1B 3903/4885LMNA 1373/4885

“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.