SCHEMBL7546025

SCHEMBL7546025

c1cc2[nH]c(-c3ccc(CNCCN4CCCCC4)cc3)nc2cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
ACHE P22303 6/20 0.46
DPP7 Q9UHL4 2/20 0.45
CHEK1 O14757 1/20 0.41
CCR2 P41597 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PARP1 P09874 1/20 0.39
MAP3K8 P41279 1/20 0.39
HPSE Q9Y251 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
KMT2A Q03164 1/20 0.38
CHEK2 O96017 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7553596 0.92 HPSE (0.48) CYP3A4CYP2D6ACHEDPP7CHEK1
SCHEMBL7554505 0.88 MAP4K4 (0.48) CYP3A4CYP2D6ACHEDPP7HDAC6
SCHEMBL7554506 0.86 ACHE (0.62) CYP2D6ACHEDPP7HPSEKDM4E
SCHEMBL7546717 0.82 ACHE (0.54) ACHEDPP7CCR2HDAC6PARP1
SCHEMBL7549557 0.82 DPP7 (0.49) CYP3A4CYP2D6ACHEDPP7PARP1
SCHEMBL7552057 0.81 DPP7 (0.41) CYP3A4CYP2D6ACHEDPP7MAP3K8
SCHEMBL7549395 0.81 ACHE (0.50) ACHEDPP7CCR2HDAC6MAP3K8
SCHEMBL7553785 0.81 CCR2 (0.62) ACHEDPP7CCR2HDAC6PARP1
SCHEMBL7550044 0.80 ACHE (0.65) CYP3A4ACHEDPP7CCR2HDAC6
SCHEMBL7548588 0.80 ACHE (0.49) ACHEDPP7CCR2HDAC6CHEK2

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 CYP3A4 1292/4885CYP2D6 2355/4885ACHE 4652/4885

“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.