SCHEMBL4987745

SCHEMBL4987745

O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.67
KCNJ1 P48048 2/20 0.65
KCNH2 Q12809 1/20 0.65
KMT2A Q03164 4/20 0.64
POLB P06746 2/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.62
MAPT P10636 2/20 0.61
TDP1 Q9NUW8 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
AKR1C3 P42330 1/20 0.58
SIGMAR1 Q99720 1/20 0.57
PHGDH O43175 1/20 0.57

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
SCHEMBL1876940 0.86 RECQL (0.72) RECQLKCNJ1KCNH2KMT2APOLB
SCHEMBL2384676 0.85 RECQL (0.70) RECQLKCNJ1KCNH2KMT2APOLB
SCHEMBL6607225 0.84 RECQL (0.68) RECQLKCNJ1KCNH2KMT2APOLB
SCHEMBL367862 0.83 SIGMAR1 (0.63) KMT2APOLBMEN1ALDH1A1KDM4E
SCHEMBL4994038 0.83 ALDH1A1 (0.67) KCNJ1KCNH2KMT2AALDH1A1LMNA
SCHEMBL6287119 0.82 ALDH1A1 (0.62) KCNJ1KCNH2KMT2AALDH1A1LMNA
SCHEMBL2747017 0.82 KCNJ1 (0.73) RECQLKCNJ1KCNH2KMT2APOLB
SCHEMBL5302733 0.82 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL9557210 0.81 ALDH1A1 (0.61) KCNJ1KCNH2KMT2AALDH1A1LMNA
SCHEMBL10666879 0.81 NPC1 (0.65) RECQLKMT2AALDH1A1LMNAMAPT

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 16 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
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 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
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO 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
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP 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
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 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 (8 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 RECQL 4408/4885KCNJ1 3684/4885KCNH2 2404/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RECQL 4408/4885KCNJ1 3684/4885KCNH2 2404/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RECQL 4408/4885KCNJ1 3684/4885KCNH2 2404/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RECQL 4408/4885KCNJ1 3684/4885KCNH2 2404/4885
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP RECQL 4183/4885KCNJ1 3337/4885KCNH2 3519/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RECQL 4408/4885KCNJ1 3684/4885KCNH2 2404/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RECQL 4408/4885KCNJ1 3684/4885KCNH2 2404/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 RECQL 4408/4885KCNJ1 3684/4885KCNH2 2404/4885

“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.