SCHEMBL7551086

SCHEMBL7551086

CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2ncccc2n1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RPS6KA5 O75582 1/20 0.40
PKM P14618 1/20 0.39
DRD3 P35462 8/20 0.38
DRD2 P14416 7/20 0.38
PDE2A O00408 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TOP2A P11388 1/20 0.37
BACE1 P56817 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
SMARCA2 P51531 1/20 0.37
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7157953 0.88 PKM (0.39) KDM4EALDH1A1PKMDRD3DRD2
SCHEMBL7156642 0.85 KDM4E (0.38) KDM4EALDH1A1PKMDRD3DRD2
SCHEMBL7554859 0.81 ALDH1A1 (0.46) KDM4EALDH1A1PKMDRD3DRD2
SCHEMBL7553122 0.81 RPS6KA5 (0.56) KDM4EALDH1A1RPS6KA5PKMDRD3
SCHEMBL7552014 0.81 RPS6KA5 (0.45) KDM4EALDH1A1RPS6KA5PKMDRD3
SCHEMBL7546958 0.78 CYP11B1 (0.38) KDM4EALDH1A1PKMDRD3DRD2
SCHEMBL7160212 0.75 MAPT (0.40) KDM4EALDH1A1PKMDRD3DRD2
SCHEMBL7549611 0.75 CYP1A2 (0.40) ALDH1A1RPS6KA5PKMDRD3DRD2
SCHEMBL7153857 0.74 PKM (0.50) KDM4EALDH1A1PKMDRD3DRD2
SCHEMBL7160110 0.74 PDE5A (0.56)

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 KDM4E 2846/4885ALDH1A1 2817/4885RPS6KA5 3324/4885

“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.