SCHEMBL7549634

SCHEMBL7549634

c1ccc(COc2ccc3nc(-c4ccc(CNCCN5CCCCC5)cc4)[nH]c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.53
CHEK2 O96017 5/20 0.50
DPP7 Q9UHL4 1/20 0.48
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47
LTC4S Q16873 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7548311 0.86 DPP7 (0.53) ACHECHEK2DPP7HTR1ADRD2
Hydrochloric Acid SCHEMBL7157090 0.85 ACHE (0.56) ACHECHEK2KDM4ENPC1ALDH1A1
SCHEMBL7546972 0.83 ACHE (0.55) ACHECHEK2
SCHEMBL7554506 0.83 ACHE (0.62) ACHEDPP7KDM4ENPC1ALDH1A1
SCHEMBL7549637 0.81 CCR2 (0.62) ACHECHEK2PTGESALOX5LTC4S
SCHEMBL7548588 0.81 ACHE (0.49) ACHECHEK2DPP7HTR1ADRD2
SCHEMBL7550044 0.81 ACHE (0.65) ACHECHEK2DPP7KDM4ENPC1
SCHEMBL7553809 0.79 HRH4 (0.51) ACHECHEK2
SCHEMBL7553785 0.78 CCR2 (0.62) ACHECHEK2DPP7
SCHEMBL7549395 0.78 ACHE (0.50) ACHECHEK2DPP7ALDH1A1TSHR

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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists WARNER-LAMBERT COMPANY (US) 2002-07-25 US claimed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 ACHE 4652/4885CHEK2 3746/4885DPP7 2503/4885

“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.