SCHEMBL3757392

SCHEMBL3757392

Cc1cc(-c2cccnc2)nc(C)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
CYP19A1 P11511 1/20 0.51
KMO O15229 2/20 0.48
DHODH Q02127 1/20 0.47
MKNK1 Q9BUB5 3/20 0.46
MKNK2 Q9HBH9 3/20 0.46
CYP2A6 P11509 3/20 0.46
ALK Q9UM73 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 1/20 0.44
LDHA P00338 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3764919 0.83 ALDH1A1 (0.45) LMNAKDM4EHTTCYP19A1DHODH
SCHEMBL4250594 0.83 GSK3B (0.47) LMNAKDM4EHTTDHODHCYP3A4
SCHEMBL18876337 0.80 CYP19A1 (0.54) LMNAKDM4EHTTCYP19A1MKNK1
SCHEMBL5391695 0.79 ALDH1A1 (0.52) KDM4EHTTCYP3A4LDHA
SCHEMBL1085376 0.76 XDH (0.56) LMNAKDM4EHTTKMODHODH
SCHEMBL1085393 0.75 ALDH1A1 (0.41) KDM4EKMODHODH
SCHEMBL4777225 0.75 KMO (0.60) LMNAKDM4EHTTCYP19A1KMO
SCHEMBL19555005 0.73 KDM4E (0.59) LMNAKDM4EHTTCYP19A1DHODH
SCHEMBL29779705 0.73 KDM4E (0.59) LMNAKDM4EHTTCYP19A1DHODH
SCHEMBL29779685 0.73 KDM4E (0.53) LMNAKDM4EHTTCYP19A1KMO

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 LMNA 4640/4885KDM4E 4532/4885HTT 4491/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 LMNA 4640/4885KDM4E 4532/4885HTT 4491/4885

“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.