SCHEMBL585142

SCHEMBL585142

CN(C(=O)O)c1ccc(NCC2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.47
KMT2A Q03164 5/20 0.44
MAPT P10636 10/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPK1 P28482 2/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL585141 1.00 HCAR3 (0.47) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL585719 0.91 MAPT (0.46) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL3972651 0.90 MAPT (0.51) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL3972652 0.90 MAPT (0.51) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL584693 0.86 ALDH1A1 (0.44) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL584692 0.86 ALDH1A1 (0.44) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL5438384 0.83 HCAR3 (0.52) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL5438390 0.83 HCAR3 (0.52) HCAR3KMT2AMAPTNPSR1MAPK1
SCHEMBL585072 0.83 PTGER4 (0.46) MAPTALDH1A1HTTKDM4EHPGD
SCHEMBL4969391 0.83 HCAR3 (0.44) HCAR3KMT2AMAPTNPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 HCAR3 1506/4885KMT2A 1921/4885MAPT 3892/4885

“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.