SCHEMBL4997652

SCHEMBL4997652

O=C1Nc2ccccc2C1=CNc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.50
MAP3K7 O43318 3/20 0.49
TAB1 Q15750 3/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
TGM2 P21980 1/20 0.48
IDO1 P14902 1/20 0.48
PIM1 P11309 1/20 0.46
PLK4 O00444 3/20 0.46
PLK1 P53350 3/20 0.46
CCNB2 O95067 1/20 0.45

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
SCHEMBL4997645 1.00 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL5024104 0.91 MAP3K7 (0.52) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL5024106 0.91 MAP3K7 (0.52) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL4995965 0.90 MAPT (0.52) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL4995974 0.90 MAPT (0.52) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL3564001 0.89 KMT2A (0.50) ALDH1A1MAPTKDM4EPKMRAB9A
SCHEMBL3564004 0.89 KMT2A (0.50) ALDH1A1MAPTKDM4EPKMRAB9A
SCHEMBL4993578 0.85 GSK3B (0.53) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL4993583 0.85 GSK3B (0.53) ALDH1A1MAPTKDM4EPKMNPSR1
SCHEMBL4990444 0.83 MAPT (0.50) ALDH1A1MAPTKDM4EPKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 US disclosed
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 US disclosed
US-7098236-B2 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-08-29 US disclosed
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-03-23 US disclosed
US-7015220-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-03-21 US disclosed
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 US disclosed
US-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2005-10-13 US disclosed
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ANDREWS STEVEN W (US) 2004-10-07 US disclosed
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 US disclosed
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 US disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 US 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 (7 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-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885MAPT 3370/4885KDM4E 1025/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885MAPT 3370/4885KDM4E 1025/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885MAPT 3370/4885KDM4E 1025/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885MAPT 3370/4885KDM4E 1025/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885MAPT 3370/4885KDM4E 1025/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885MAPT 3370/4885KDM4E 1025/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 ALDH1A1 1651/4885MAPT 3370/4885KDM4E 1025/4885

“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.