SCHEMBL7112442

SCHEMBL7112442

CCCn1c(-c2cccc(OCCCCCC(=O)OC)c2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
TP53 P04637 3/20 0.50
CYP2C9 P11712 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
PIN1 Q13526 3/20 0.47
PTGER4 P35408 1/20 0.47
HCRTR1 O43613 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6482127 0.88 PTGER4 (0.49) KDM4EALDH1A1NPSR1GAALMNA
SCHEMBL6474737 0.88 PDE3B (0.51) KDM4EALDH1A1NPSR1GAALMNA
SCHEMBL7115800 0.82 KDM4E (0.48) MAPTKDM4EALDH1A1NPSR1GAA
SCHEMBL6476128 0.80 HPGD (0.55) KDM4EALDH1A1HPGDPIN1PTGER4
SCHEMBL6484336 0.79 PDE3B (0.50) KDM4EALDH1A1HPGDPIN1PTGER4
SCHEMBL6475372 0.77 PDE3B (0.57)
SCHEMBL6483459 0.77 GAA (0.51) MAPTKDM4EALDH1A1GAACYP2C9
SCHEMBL6482841 0.77 GAA (0.51) MAPTKDM4EALDH1A1GAACYP2C9
SCHEMBL31248091 0.77 MAPT (0.62) MAPTKDM4EALDH1A1NPSR1GAA
SCHEMBL28605584 0.77 MAPT (0.62) MAPTKDM4EALDH1A1NPSR1GAA

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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives SCHERING AG (DE) 2003-03-20 US claimed

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-20030055057-A1 1-alkyl-2-aryl-benzimidazole derivatives, their use for the production of pharmaceutial agents as well as pharmaceutical preparations that contain these derivatives ARG2, MSR1, ARG1 MAPT 1593/4885KDM4E 1512/4885ALDH1A1 182/4885

“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.