SCHEMBL7553609

SCHEMBL7553609

Clc1ccc2nc(-c3ccccc3CNCCN3CCCCC3)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.52
KDR P35968 1/20 0.49
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7554529 0.92 HRH4 (0.44) ACHEKDRTSHRHRH4CCR2
SCHEMBL7546612 0.90 CCR2 (0.51) ACHEKDRHPGDNPC1TSHR
SCHEMBL7549624 0.87 ACHE (0.51) ACHEHPGDNPC1TSHRRAB9A
SCHEMBL7553494 0.83 PDE5A (0.45) ACHEKDRTSHRMETAP2METAP1
SCHEMBL7550044 0.82 ACHE (0.65) ACHETP53HPGDDRD2DRD4
SCHEMBL7547685 0.81 ACHE (0.56) ACHETP53HPGDDRD2DRD4
SCHEMBL7552057 0.81 DPP7 (0.41) ACHEKDRHPGDTSHRKDM4E
SCHEMBL7550672 0.78 DPP7 (0.42) ACHEHPGDTSHRKDM4EALDH1A1
SCHEMBL7546715 0.78 PDE5A (0.47) DPP7
SCHEMBL30572553 0.77 DHODH (0.53) ACHEHPGDNPC1TSHRNFKB1

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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 ACHE 4652/4885KDR 586/4885TP53 3756/4885

“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.