SCHEMBL3765040

SCHEMBL3765040

Cc1ccn(-c2cc(C)c(Br)c(C)n2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TDO2 P48775 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.31

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
SCHEMBL22033516 0.76 MAPT (0.59) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL3761879 0.75 MAPT (0.46) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL2299306 0.72 KDM4E (0.37) MAPTSMN1; SMN2L3MBTL1KDM4EALDH1A1
SCHEMBL12232008 0.70 MAPT (0.52) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL30019714 0.69 MAPT (0.76) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL11987005 0.69 MAPT (0.76) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL197523 0.69 MAPT (1.00) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL19687289 0.68 MAPT (0.53) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL19686873 0.68 MAPT (0.53) RAB9AMAPTSMN1; SMN2NPC1ATM
SCHEMBL12532375 0.67 RAB9A (0.68) RAB9AMAPTSMN1; SMN2NPC1ATM

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
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 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 (2 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 RAB9A 2043/4885MAPT 3843/4885SMN1; SMN2 4838/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 RAB9A 2043/4885MAPT 3843/4885SMN1; SMN2 4838/4885

“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.