SCHEMBL8259906

SCHEMBL8259906

CC(=O)c1ccc(Nc2cccc(N3CCN(CC(=O)OCc4ccccc4)CC3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
HCAR3 P49019 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
MAPK1 P28482 1/20 0.40
TMEM97 Q5BJF2 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
HRH1 P35367 2/20 0.40

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
SCHEMBL2651792 0.89 MAPT (0.43) MAPTHPGDHCAR3ALDH1A1KMT2A
SCHEMBL2662237 0.81 ALDH1A1 (0.54) MAPTHPGDHCAR3ALDH1A1KMT2A
SCHEMBL2662423 0.81 LMNA (0.48) MAPTHPGDALDH1A1KMT2AKDM4E
SCHEMBL2665507 0.81 HCAR3 (0.52) MAPTHPGDHCAR3ALDH1A1KMT2A
SCHEMBL2661874 0.80 MAPT (0.46) MAPTHPGDHCAR3ALDH1A1KMT2A
SCHEMBL2648721 0.80 MAPT (0.50) MAPTHPGDHCAR3ALDH1A1KMT2A
SCHEMBL2661830 0.80 MAPT (0.45) MAPTHPGDHCAR3ALDH1A1KMT2A
SCHEMBL2651555 0.79 MAPT (0.45) MAPTHPGDALDH1A1KMT2AKDM4E
SCHEMBL2662484 0.78 THRB (0.47) MAPTHPGDHCAR3ALDH1A1KMT2A
SCHEMBL2651064 0.78 MAPT (0.43) MAPTHPGDALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds NEUROSEARCH A/S 2004-05-20 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-20040097570-A1 Novel benzimidazole derivatives and pharmaceutical compositions comprising these compounds GABRA1, GABRA2, GABRA4 MAPT 906/4885HPGD 1452/4885HCAR3 176/4885

“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.