SCHEMBL928688

SCHEMBL928688

Nc1ccc(Sc2ccc(O)cc2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.61
CYP3A4 P08684 8/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.42
ESR2 Q92731 1/20 0.39
ALOX15 P16050 7/20 0.39
HIF1A Q16665 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
THRB P10828 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA6 P23280 1/20 0.39
CASP1 P29466 1/20 0.39
TDP1 Q9NUW8 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 2/20 0.36
DHFR P00374 1/20 0.36
CA2 P00918 3/20 0.35

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
SCHEMBL11190277 0.87 NR1H2 (0.61) NR1H2CYP3A4TSHRMAPK1ALOX15
SCHEMBL613358 0.86 CYP3A4 (0.48) NR1H2CYP3A4TSHRMAPK1ALOX15
SCHEMBL7869707 0.82 CYP3A4 (0.67) CYP3A4TSHRMAPK1ALOX15ALDH1A1
SCHEMBL28246410 0.81 NR1H2 (0.93) NR1H2CYP3A4TSHRMAPK1ESR2
SCHEMBL6366825 0.80 MAOA (0.47) CYP3A4TSHRMAPK1ALOX15ALDH1A1
SCHEMBL30398364 0.80 MAOA (0.47) CYP3A4TSHRMAPK1ALOX15ALDH1A1
SCHEMBL29053002 0.78 MEN1 (0.49) CYP3A4TSHRMAPK1ALOX15ALDH1A1
SCHEMBL11630774 0.78 TDP1 (0.56) CYP3A4TSHRMAPK1ALOX15ALDH1A1
SCHEMBL29726 0.78 NR1H2 (1.00) NR1H2CYP3A4TSHRMAPK1ESR2
SCHEMBL10914949 0.78 NR1H2 (1.00) NR1H2CYP3A4TSHRMAPK1ESR2

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 8 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
EP-1140078-B1 BENZIMIDAZOLE VASCULAR DAMAGING AGENTS ANGIOGENE PHARM LTD (GB) 2007-08-29 EP 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-20040058972-A1 Benzimidazole vascular damaging agents DAVIS PETER DAVID (GB) 2004-03-25 US disclosed
US-6645950-B1 Benzimidazole-2-carbamates; antitumor agents; angiogenesis inhibitors; macular degeneration, diabetic retinopathy, rheumatic arthritis, psoriasis, and atherosclerosis treatment ANGIOGENE PHARMACEUTICALS LTD. (GB) 2003-11-11 US 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 (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-20040058972-A1 Benzimidazole vascular damaging agents FLT1, FLT4, PCNA NR1H2 2233/4885CYP3A4 1054/4885TSHR 3026/4885
US-20060264492-A1 Benzimidazole vascular damaging agents FLT4, PCNA, FLT1 NR1H2 2234/4885CYP3A4 1148/4885TSHR 2977/4885

“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.