SCHEMBL4598161

SCHEMBL4598161

Cc1cc(Cl)nc(C)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A1 P00352 8/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MPI P34949 1/20 0.36
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
ERN1 O75460 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL30592272 0.83 ALDH1A1 (0.37) CYP2C19CYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL5871099 0.83 CYP3A4 (0.42) CYP2C19CYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL16463746 0.83 ALDH1A1 (0.37) CYP2C19CYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL29882654 0.83 CYP3A4 (0.42) CYP2C19CYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL18823103 0.79 ERN1 (0.33) CYP2C19CYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL6160521 0.78 CYP1A2 (0.38) CYP2C19CYP1A2KDM4EALDH1A1MEN1
SCHEMBL29951488 0.78 CYP1A2 (0.38) CYP2C19CYP1A2KDM4EALDH1A1MEN1
SCHEMBL25272811 0.77 ALDH1A1 (0.36) CYP2C19CYP3A4CYP1A2CYP2D6KDM4E
SCHEMBL24773215 0.77 ERN1 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL24773783 0.77 CYP3A4 (0.37) CYP2C19CYP3A4CYP1A2CYP2D6KDM4E

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 6 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
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US 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
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 CYP2C19 4432/4885CYP3A4 1938/4885CYP1A2 4327/4885

“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.