SCHEMBL5402334

SCHEMBL5402334

CC(O)C(=O)N1CCN(Cc2c(-c3cccs3)nc3ccccc3c2C(=O)O)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
PIK3CD O00329 1/20 0.39
GBA1 P04062 4/20 0.39
TACR3 P29371 4/20 0.39
TACR2 P21452 4/20 0.39
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5402325 1.00 CYP2C9 (0.41) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5411714 0.87 TACR3 (0.49) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5411691 0.87 TACR3 (0.49) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5930898 0.81 MEN1 (0.41) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5392719 0.80 TACR3 (0.47) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5930680 0.79 TACR3 (0.41) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5422711 0.79 KDM4E (0.39) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5422701 0.79 KDM4E (0.39) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5423422 0.79 KDM4E (0.39) CYP2C9MEN1KMT2AKDM4EMAPT
SCHEMBL5930790 0.79 ALDH1A1 (0.40) CYP2C9MEN1KMT2AKDM4EMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007521276-A 2007-08-02 JP claimed
US-20070060593-A1 4-Carboxamido quinoline derivatives for use as nk-2 and nk-3 SMITHKLINE BEECHAM CORPORATION 2007-03-15 US claimed
EP-1635834-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-22 EP claimed
WO-2005000247-A2 4-CARBOXAMIDO QUINOLINE DERIVATIVES FOR USE AS NK-2 AND NK-3 SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO claimed
US-20070060593-A1 4-Carboxamido quinoline derivatives for use as nk-2 and nk-3 SMITHKLINE BEECHAM CORPORATION 2007-03-15 US disclosed
EP-1635834-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-22 EP disclosed
WO-2005000247-A2 4-CARBOXAMIDO QUINOLINE DERIVATIVES FOR USE AS NK-2 AND NK-3 SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 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-20070060593-A1 4-Carboxamido quinoline derivatives for use as nk-2 and nk-3 KCNK3, KCNQ3, KCNK2 CYP2C9 2127/4885MEN1 2344/4885KMT2A 616/4885

“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.