SCHEMBL6677936

SCHEMBL6677936

C[C@H](NC(=O)[C@H](CCCNC1=NCCN1)NC(=O)c1ccc(CNCc2nccn2C)cc1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.53
F2 P00734 2/20 0.37
WDR5 P61964 3/20 0.36
USP1 O94782 1/20 0.36
CASR P41180 2/20 0.35
TGM2 P21980 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ITGB3 P05106 6/20 0.34
ITGAV P06756 6/20 0.34
MALT1 Q9UDY8 1/20 0.34
PPARG P37231 1/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33

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
SCHEMBL6656132 0.92 CXCR4 (0.51) CXCR4F2WDR5CASRITGB3
SCHEMBL6652095 0.89 CXCR4 (0.60) CXCR4USP1CASRTGM2MEN1
SCHEMBL6652792 0.86 CXCR4 (0.58) CXCR4USP1CASRTGM2MEN1
SCHEMBL6656191 0.84 CXCR4 (0.54) CXCR4USP1CASRTGM2MEN1
SCHEMBL6655038 0.84 CXCR4 (0.54) CXCR4USP1CASRTGM2MEN1
SCHEMBL6655464 0.84 CXCR4 (0.56) CXCR4USP1CASRTGM2MEN1
SCHEMBL7022515 0.83 CXCR4 (0.53) CXCR4F2WDR5CASRITGB3
SCHEMBL6677932 0.83 CXCR4 (0.49) CXCR4F2WDR5CASRMALT1
SCHEMBL6653532 0.83 CXCR4 (0.54) CXCR4USP1CASRTGM2MEN1
SCHEMBL6655019 0.82 CXCR4 (0.56) CXCR4USP1CASRTGM2MEN1

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-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 EP claimed
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US disclosed
EP-1431290-A1 NOVEL NITROGENOUS COMPOUND AND USE THEREOF Kureha Chemical Industry Co., Ltd. (JP) 2004-06-23 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-20040254221-A1 Novel Nitrogenous Compound and use thereof NGLY1, NOD1, CCR1 CXCR4 88/4885F2 2207/4885WDR5 904/4885

“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.