SCHEMBL3593561

SCHEMBL3593561

CCOC(=O)CNC(=O)c1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.37
CCR2 P41597 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 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
SCHEMBL3600445 0.95 CCR5 (0.38) CCR5MEN1KMT2AEPHX2LMNA
SCHEMBL3598390 0.94 PDE4A (0.41) CCR5CCR2MEN1KMT2AEPHX2
SCHEMBL3592312 0.92 MAPT (0.37) CCR5MEN1KMT2ASMN1; SMN2POLB
SCHEMBL3594810 0.91 MEN1 (0.39) CCR5MEN1KMT2ARAB9AEPHX2
SCHEMBL3597453 0.90 POLB (0.35) CCR5KMT2APOLB
SCHEMBL13254136 0.90 SIGMAR1 (0.37) CCR5SMN1; SMN2PDE4BPDE4D
SCHEMBL3587526 0.90 CCR5 (0.39) CCR5MEN1KMT2APOLB
SCHEMBL3598302 0.89 BCHE (0.36) CCR5MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3585659 0.87 KMT2A (0.41) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3587745 0.87 CCR5 (0.37) CCR5MEN1KMT2APOLBPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 CCR5 958/4885CCR2 1020/4885MEN1 3628/4885

“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.