SCHEMBL4598488

SCHEMBL4598488

Cc1ccc(Oc2ccc(C#N)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP2A6 P11509 1/20 0.48
P2RX3 P56373 6/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
OPRM1 P35372 1/20 0.46
MAP4K4 O95819 1/20 0.46
GAA P10253 1/20 0.46
AR P10275 1/20 0.45
CYP19A1 P11511 1/20 0.45
PDE4B Q07343 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8237112 0.90 KDM4E (0.54) KDM4EALDH1A1CYP2A6P2RX3MEN1
SCHEMBL8737052 0.84 KDM4E (0.66) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL27368615 0.83 OPRM1 (0.46) KDM4EALDH1A1P2RX3MEN1KMT2A
SCHEMBL3289972 0.81 HRH3 (0.52) KDM4EALDH1A1MEN1KMT2AMAP4K4
SCHEMBL24665120 0.80 OPRM1 (0.46) KDM4EP2RX3MEN1KMT2ARAB9A
SCHEMBL6507078 0.80 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL31086613 0.80 MAP4K4 (0.49) KDM4EP2RX3MEN1KMT2ARAB9A
SCHEMBL16827325 0.80 P2RX3 (0.47) P2RX3OPRM1MAP4K4CYP19A1PDE4B
SCHEMBL30731726 0.80 OPRM1 (0.46) KDM4EP2RX3MEN1KMT2ARAB9A
SCHEMBL29254937 0.80 MAP4K4 (0.49) KDM4EP2RX3MEN1KMT2ARAB9A

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 KDM4E 3689/4885ALDH1A1 3484/4885CYP2A6 3756/4885

“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.