SCHEMBL6652095

SCHEMBL6652095

C[C@H](NC(=O)[C@H](CCCNCc1nccn1C)NC(=O)c1ccc(CNCc2nccn2C)cc1)c1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.60
USP1 O94782 1/20 0.39
METAP2 P50579 3/20 0.39
METAP1 P53582 3/20 0.39
CASR P41180 2/20 0.39
PPARG P37231 1/20 0.38
TGM2 P21980 1/20 0.38
EPHX2 P34913 2/20 0.38
GPR139 Q6DWJ6 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BMP1 P13497 2/20 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
SCHEMBL6652792 0.95 CXCR4 (0.58) CXCR4USP1METAP2METAP1CASR
SCHEMBL6655038 0.93 CXCR4 (0.54) CXCR4USP1METAP2METAP1CASR
SCHEMBL6656191 0.93 CXCR4 (0.54) CXCR4USP1METAP2METAP1CASR
SCHEMBL6655464 0.90 CXCR4 (0.56) CXCR4USP1METAP2METAP1CASR
SCHEMBL6655019 0.89 CXCR4 (0.56) CXCR4USP1METAP2METAP1CASR
SCHEMBL6677936 0.89 CXCR4 (0.53) CXCR4USP1METAP2METAP1CASR
SCHEMBL6018099 0.88 CXCR4 (0.46) CXCR4TGM2
SCHEMBL6653532 0.87 CXCR4 (0.54) CXCR4USP1METAP2METAP1CASR
SCHEMBL6658144 0.83 CXCR4 (0.61) CXCR4METAP2METAP1CASRPPARG
SCHEMBL6018133 0.83 CXCR4 (0.43) CXCR4TGM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254221-A1 Novel Nitrogenous Compound and use thereof KUREHA CORPORATION (JP) 2004-12-16 US claimed
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 88/4885USP1 2107/4885METAP2 3737/4885

“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.