SCHEMBL6417141

SCHEMBL6417141

NC(=O)Cc1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
TGM2 P21980 2/20 0.49
LMNA P02545 1/20 0.49
IDO1 P14902 1/20 0.49
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EPHX2 P34913 1/20 0.42
MAP3K7 O43318 3/20 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
SCHEMBL6417148 1.00 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4991617 0.89 MAPT (0.52) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4991606 0.89 MAPT (0.52) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL6843741 0.85 IDO1 (0.55) TGM2IDO1PDGFRB
SCHEMBL6843739 0.85 IDO1 (0.55) TGM2IDO1PDGFRB
SCHEMBL4999469 0.85 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4999470 0.85 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4992130 0.82 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4992126 0.82 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1KDM4EPKM
SCHEMBL4984870 0.82 MAPT (0.50) ALDH1A1MAPTNPSR1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282810-A1 Oxindole derivatives HARRIS PHILIP A 2005-12-22 US claimed
US-6964977-B2 Oxindole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2005-11-15 US claimed
US-20030225090-A1 E.g., 5-(((Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-amino)-1,3-dihydro-2H -benzimidazol-2-one; inhibition or antagonism of protein kinases; treating pain or cancer SMITHKLINE BEECHAM CORPORATION 2003-12-04 US claimed
US-20050282810-A1 Oxindole derivatives HARRIS PHILIP A 2005-12-22 US disclosed
US-6964977-B2 Oxindole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2005-11-15 US disclosed
US-20030225090-A1 E.g., 5-(((Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-amino)-1,3-dihydro-2H -benzimidazol-2-one; inhibition or antagonism of protein kinases; treating pain or cancer SMITHKLINE BEECHAM CORPORATION 2003-12-04 US disclosed
EP-1317446-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-06-11 EP disclosed
WO-2002020513-A1 OXINDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-03-14 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-20050282810-A1 Oxindole derivatives OPRK1, ERBB2, OGFR ALDH1A1 3635/4885MAPT 3370/4885NPSR1 1041/4885
US-20030225090-A1 E.g., 5-(((Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl)-amino)-1,3-dihydro-2H -benzimidazol-2-one; inhibition or antagonism of protein kinases; treating pain or cancer ERBB2, DSTYK, OPRK1 ALDH1A1 3801/4885MAPT 3646/4885NPSR1 1489/4885

“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.