SCHEMBL2748233

SCHEMBL2748233

CN(C)CCNC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
HPGD P15428 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
LMNA P02545 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 3/20 0.60
ATM Q13315 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 2/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53

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
SCHEMBL7038632 0.92 ALDH1A1 (0.61) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL4488519 0.92 ALDH1A1 (0.66) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL656530 0.85 ALDH1A1 (0.71) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL8298069 0.83 ALDH1A1 (0.70) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL2717007 0.83 TMEM97 (0.68) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL9492603 0.83 ALDH1A1 (0.76) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL6835143 0.83 ALDH1A1 (0.71) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL5507075 0.82 ALDH1A1 (0.70) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL7746602 0.82 ALDH1A1 (0.68) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2
SCHEMBL11111589 0.81 ALDH1A1 (0.58) ALDH1A1HPGDL3MBTL1LMNASMN1; SMN2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 US disclosed
CN-1933839-A Compounds and methods of use AMGEN INC (US) 2007-03-21 CN disclosed
EP-1664053-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2007-01-24 EP disclosed
US-20050070554-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-03-31 US disclosed
WO-2005021551-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-03-10 WO disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 US disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed
CN-1509270-A Indolinones substituted in the 6-position, process for their preparation and their use as kinase inhibitors ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-06-30 CN disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO disclosed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 US disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 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 (5 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 ALDH1A1 1526/4885HPGD 1513/4885L3MBTL1 4747/4885
US-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 ALDH1A1 370/4885HPGD 1495/4885L3MBTL1 4158/4885
US-20050070554-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, PAICS ALDH1A1 774/4885HPGD 607/4885L3MBTL1 4153/4885
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC ALDH1A1 1144/4885HPGD 1188/4885L3MBTL1 1484/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET ALDH1A1 81/4885HPGD 150/4885L3MBTL1 1638/4885

“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.