SCHEMBL4967753

SCHEMBL4967753

CN1CCCC[C@@H]1CNc1ccc(NC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.51
ALDH1A1 P00352 8/20 0.51
KMT2A Q03164 7/20 0.51
MEN1 O00255 5/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
HCAR3 P49019 1/20 0.43
SLC2A1 P11166 1/20 0.43

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
SCHEMBL4968490 1.00 MAPT (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL4967740 1.00 MAPT (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL4968482 1.00 MAPT (0.51) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL14523950 0.90 MAPT (0.48) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL14116494 0.90 MAPT (0.48) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL4970005 0.83 CHRM3 (0.43) MAPT
SCHEMBL4969969 0.83 CHRM3 (0.43) MAPT
SCHEMBL5429501 0.82 HCAR3 (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL5432649 0.82 HCAR3 (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL5432643 0.82 HCAR3 (0.42) MAPTALDH1A1KMT2AMEN1KDM4E

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 5 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
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
EP-1670770-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP 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 (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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 MAPT 4445/4885ALDH1A1 642/4885KMT2A 1385/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 MAPT 3892/4885ALDH1A1 165/4885KMT2A 1921/4885

“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.