SCHEMBL6131482

SCHEMBL6131482

CCCN(CCC)Cc1ccc(NC(=O)c2ccc(CNC(Cc3ncc[nH]3)c3ccncc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.43
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
NAMPT P43490 9/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 2/20 0.38
STAT3 P40763 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BDKRB2 P30411 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37

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
SCHEMBL6131506 0.90 CXCR4 (0.43) CXCR4NAMPTSMN1; SMN2MAPK1RAB9A
SCHEMBL5624699 0.88 CXCR4 (0.42) CXCR4CA12CA9NAMPTSMN1; SMN2
SCHEMBL6131600 0.87 CXCR4 (0.43) CXCR4CA12CA9NAMPTSMN1; SMN2
SCHEMBL6131520 0.85 CXCR4 (0.41) CXCR4
SCHEMBL6131474 0.84 CXCR4 (0.40) CXCR4BDKRB2HIF1AEPAS1
SCHEMBL1206089 0.84 CXCR4 (0.48) CXCR4CA12CA9NAMPTSMN1; SMN2
SCHEMBL6131483 0.83 CXCR4 (0.40) CXCR4KMT2AMEN1
SCHEMBL6131606 0.83 CXCR4 (0.40) CXCR4BDKRB2
SCHEMBL12894415 0.82 CXCR4 (0.55) CXCR4CA12CA9NAMPTBDKRB2
SCHEMBL1206643 0.81 CXCR4 (0.51) CXCR4CA12CA9SMN1; SMN2LMNA

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
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP claimed
US-20050165063-A1 Amine compounds and use thereof KUREHA CHEMICAL INDUSTRY COMPANY, LIMITED. (JP) 2005-07-28 US disclosed
EP-1550657-A1 AMINE COMPOUNDS AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2005-07-06 EP 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-20050165063-A1 Amine compounds and use thereof NR0B2, NR5A2, NR1H4 CXCR4 90/4885CA12 2976/4885CA9 4304/4885

“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.