SCHEMBL7553017

SCHEMBL7553017

CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2cccnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NSD2 O96028 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CACNA2D1 P54289 7/20 0.36
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
TOP2A P11388 1/20 0.36
PDE5A O76074 1/20 0.35

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
SCHEMBL7546111 0.88 HRH3 (0.41) KDM4EALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL7548148 0.88 KDM4E (0.40) KDM4EALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL7155316 0.84 TSHR (0.36) KDM4EALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL7546955 0.83 NPC1 (0.51) KDM4EALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL7160110 0.81 PDE5A (0.56) PDE5A
SCHEMBL7554712 0.80 PTGES (0.34) KDM4EALDH1A1TSHRLMNAGAA
SCHEMBL7158379 0.80 PDE5A (0.42) KDM4EALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL7553973 0.80 PDE5A (0.53) KDM4EALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL7548302 0.80 ACHE (0.40) KDM4EALDH1A1NPC1SMN1; SMN2TSHR
SCHEMBL7553087 0.77 AURKA (0.44) KDM4EALDH1A1NPC1SMN1; SMN2TSHR

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 3 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 disclosed
EP-0927167-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998006703-A1 2-PHENYL BENZIMIDAZOLE DERIVATIVES AS MCP-1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-02-19 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-20020099054-A1 2-phenyl benzimidazole derivatives as MCP-1 antagonists CCR1, CCR2, CCR8 KDM4E 2846/4885ALDH1A1 2817/4885NPC1 385/4885

“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.