SCHEMBL6874013

SCHEMBL6874013

FC(F)(F)c1ccc(N2CCN(Cc3nc4cccnc4n3Cc3nc4ccccc4[nH]3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.56
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53
GRM2 Q14416 2/20 0.52
DRD2 P14416 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 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
HTR2A P28223 2/20 0.48
HTR1A P08908 1/20 0.48
ADRA2C P18825 1/20 0.48
CACNA1G O43497 1/20 0.47
CACNA1B Q00975 1/20 0.47
KCNH2 Q12809 1/20 0.47
HTR7 P34969 1/20 0.46
HTR6 P50406 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
SCHEMBL6095407 0.87 DRD4 (0.64) DRD4NPC1GAAGRM2DRD2
SCHEMBL6880280 0.82 HPGD (0.67) DRD4NPC1GAAGRM2DRD2
SCHEMBL6880423 0.81 DRD4 (0.54) DRD4NPC1GAAGRM2DRD2
SCHEMBL6881731 0.79 DRD4 (0.52) DRD4NPC1GAADRD2KDM4E
SCHEMBL6878954 0.79 DRD4 (0.52) DRD4NPC1GAAGRM2DRD2
SCHEMBL6883746 0.78 DRD4 (0.51) DRD4NPC1GAADRD2KDM4E
SCHEMBL6878952 0.78 DRD4 (0.51) DRD4NPC1GAAGRM2DRD2
SCHEMBL6881533 0.78 DRD4 (0.49) DRD4GRM2DRD2KDM4EALDH1A1
SCHEMBL6095533 0.78 DRD4 (0.56) DRD4NPC1GAAGRM2DRD2
SCHEMBL6881816 0.75 ALDH1A1 (0.50) DRD4DRD2KDM4EALDH1A1CYP3A4

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 DRD4 1550/4885NPC1 1342/4885GAA 686/4885

“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.