SCHEMBL1909677

SCHEMBL1909677

CN(C)CCCNC(=O)c1cccc(N)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FYN P06241 1/20 0.52
SIGMAR1 Q99720 4/20 0.51
TMEM97 Q5BJF2 3/20 0.51
PRMT1 Q99873 1/20 0.49
NAMPT P43490 1/20 0.49
PARP1 P09874 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2747362 0.91 MAP4K4 (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL30902793 0.90 PKM (0.54) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12516004 0.86 SMN1; SMN2 (0.62) KDM4EALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL18773534 0.84 SMN1; SMN2 (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL842218 0.84 NPC1 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6258472 0.84 SMN1; SMN2 (0.79) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL10630944 0.83 ALDH1A1 (0.57) KDM4EALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL1559831 0.82 HPGD (0.73) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL12055875 0.82 SIGMAR1 (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3650167 0.82 HPGD (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-20110166120-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC. 2011-07-07 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
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 WO disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US 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 (3 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 KDM4E 695/4885ALDH1A1 1526/4885HPGD 1513/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KDM4E 1648/4885ALDH1A1 2036/4885HPGD 2420/4885
US-20110166120-A1 SULFONYL AMIDE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH GPR119, INSR, LYAR KDM4E 1694/4885ALDH1A1 1427/4885HPGD 4595/4885

“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.