SCHEMBL2650607

SCHEMBL2650607

CCOC(=O)CC(c1cccc(Nc2ccc(C(=O)OC)cc2N)c1)N1CC(C)NC(C)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.42
CDC25B P30305 6/20 0.39
GAA P10253 3/20 0.39
NPC1 O15118 2/20 0.39
GFER P55789 1/20 0.39
ALOX15 P16050 1/20 0.38
ERAP2 Q6P179 2/20 0.37
LNPEP Q9UIQ6 2/20 0.37
SCARB1 Q8WTV0 2/20 0.35
OPRD1 P41143 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25C P30307 1/20 0.34

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
SCHEMBL2651904 0.93 PTGER4 (0.42) PTGER4CDC25BGAANPC1GFER
SCHEMBL2651686 0.84 PTGER4 (0.41) PTGER4CDC25BGAANPC1GFER
SCHEMBL5784169 0.80 PTGER4 (0.43) PTGER4CDC25BGAANPC1GFER
SCHEMBL5781829 0.72 HDAC2 (0.39) PTGER4CDC25BKDM4EALDH1A1
SCHEMBL2650605 0.72 PTGER4 (0.41) PTGER4CDC25BGAANPC1GFER
SCHEMBL15020894 0.69 GAA (0.60) CDC25BGAANPC1GFERALOX15
SCHEMBL15319909 0.67 GAA (0.65) PTGER4CDC25BGAANPC1GFER
SCHEMBL4002584 0.66 GAA (0.72) GAANPC1GFERALOX15ERAP2
SCHEMBL2651901 0.66 PTGER4 (0.43) PTGER4CDC25BGAANPC1GFER
SCHEMBL23675160 0.66 GAA (0.58) GAANPC1GFERKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936613-B2 Benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S (DK) 2005-08-30 US disclosed
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 US disclosed
EP-1194410-A1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2002-04-10 EP disclosed
WO-2000078728-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH A/S (DK) 2000-12-28 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 PTGER4 548/4885CDC25B 3722/4885GAA 2408/4885

“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.