SCHEMBL3761879

SCHEMBL3761879

Cc1ccn(-c2cc(C)c(C(=O)O)c(C)n2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
HDAC4 P56524 1/20 0.34
HTT P42858 2/20 0.34
KAT6A Q92794 1/20 0.34
POLB P06746 2/20 0.33

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
SCHEMBL3765040 0.75 RAB9A (0.51) MAPTRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL7788152 0.71 ALDH1A1 (0.68) MAPTSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL31125623 0.71 ALDH1A1 (0.68) MAPTSMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL5391695 0.68 ALDH1A1 (0.52) MAPTSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL13174220 0.68 ALDH1A1 (0.52) RAB9ASMN1; SMN2L3MBTL1NPC1ALDH1A1
SCHEMBL17158243 0.67 KAT6A (0.46) MAPTRAB9AL3MBTL1NPC1ALDH1A1
SCHEMBL14822076 0.67 LMNA (0.57) MAPTRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL8516575 0.67 RAB9A (0.45) MAPTRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL4746949 0.67 ALDH1A1 (0.50) MAPTRAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22445800 0.67 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1MAPK1HTT

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 MAPT 3843/4885RAB9A 2043/4885SMN1; SMN2 4838/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 MAPT 3843/4885RAB9A 2043/4885SMN1; 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.