SCHEMBL3100379

SCHEMBL3100379

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(C(=O)c3ccc(Cl)cc3NCc3ccccc3)CC2O)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPK10 P53779 14/20 0.47
MAPK8 P45983 10/20 0.47
MAPK9 P45984 2/20 0.44
SLC18A3 Q16572 1/20 0.41
SLC6A7 Q99884 1/20 0.40
PRKD3 O94806 1/20 0.40
FLT4 P35916 1/20 0.40
CDKL3 Q8IVW4 1/20 0.40
TNIK Q9UKE5 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13604130 1.00 TP53BP1 (0.54) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL13157797 1.00 TP53BP1 (0.54) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL3093041 0.95 L3MBTL1 (0.47) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL13157806 0.95 L3MBTL1 (0.47) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL13604134 0.95 L3MBTL1 (0.47) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL13604133 0.89 L3MBTL1 (0.45) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL13157799 0.89 L3MBTL1 (0.45) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL3098557 0.89 L3MBTL1 (0.45) TP53BP1L3MBTL3L3MBTL1MAPK10MAPK8
SCHEMBL13157828 0.86 TP53BP1 (0.52) TP53BP1L3MBTL3L3MBTL1SLC18A3CYP2C9
SCHEMBL3107714 0.86 TP53BP1 (0.52) TP53BP1L3MBTL3L3MBTL1SLC18A3CYP2C9

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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 US 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 TP53BP1 3833/4885L3MBTL3 4678/4885L3MBTL1 4317/4885

“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.