SCHEMBL4965461

SCHEMBL4965461

Nc1cc(NC(=O)O)ccc1NCC1COCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GRM4 Q14833 8/20 0.40
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
BTK Q06187 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGER4 P35408 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL25367416 0.88 RAB9A (0.44) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL25367422 0.88 RAB9A (0.44) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL14523936 0.88 KMT2A (0.43) ALDH1A1SMN1; SMN2THRBL3MBTL1GRM4
SCHEMBL17938336 0.83 GAA (0.52) ALDH1A1SMN1; SMN2THRBL3MBTL1BTK
SCHEMBL4966338 0.82 HCAR3 (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL4966333 0.82 HCAR3 (0.54) ALDH1A1SMN1; SMN2L3MBTL1MAPTKDM4E
SCHEMBL14116644 0.80 SCN5A (0.38) ALDH1A1SMN1; SMN2THRBL3MBTL1BTK
SCHEMBL3926362 0.80 PTGER4 (0.49) GRM4PTGER4
SCHEMBL5434827 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2THRBL3MBTL1GRM4
SCHEMBL15774505 0.78 PTGER4 (0.65) ALDH1A1SMN1; SMN2THRBL3MBTL1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670770-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030733-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 ALDH1A1 642/4885SMN1; SMN2 1918/4885THRB 1769/4885

“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.