SCHEMBL6880280

SCHEMBL6880280

c1ccc2[nH]c(Cn3c(CN4CCOCC4)nc4cccnc43)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
DRD4 P21917 12/20 0.56
ALDH1A1 P00352 2/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
OPRK1 P41145 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
GRM2 Q14416 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 1/20 0.46
GAA P10253 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
SCHEMBL6880423 0.88 DRD4 (0.54) HPGDDRD4ALDH1A1DRD2KDM4E
SCHEMBL6882366 0.86 HPGD (0.54) HPGDDRD4ALDH1A1HSD17B10L3MBTL1
SCHEMBL6883658 0.85 HPGD (0.53) HPGDDRD4ALDH1A1HSD17B10L3MBTL1
SCHEMBL6881533 0.85 DRD4 (0.49) HPGDDRD4ALDH1A1DRD2KDM4E
SCHEMBL6878954 0.84 DRD4 (0.52) HPGDDRD4ALDH1A1DRD2KDM4E
SCHEMBL6881731 0.84 DRD4 (0.52) HPGDDRD4ALDH1A1DRD2KDM4E
SCHEMBL6883746 0.83 DRD4 (0.51) HPGDDRD4ALDH1A1DRD2KDM4E
SCHEMBL6878952 0.83 DRD4 (0.51) HPGDDRD4ALDH1A1DRD2KDM4E
SCHEMBL6874013 0.82 DRD4 (0.56) DRD4ALDH1A1DRD2KDM4ECYP3A4
SCHEMBL2026474 0.81 HPGD (1.00) HPGDDRD4ALDH1A1HSD17B10L3MBTL1

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
US-20040166137-A1 Hetero-substituted benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2004-08-26 US disclosed
WO-2004043913-A2 HETERO-SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2004-05-27 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-20040166137-A1 Hetero-substituted benzimidazole compounds and antiviral uses thereof MAVS, TIMM13, TIMM10 HPGD 4049/4885DRD4 1550/4885ALDH1A1 3062/4885

“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.