SCHEMBL228000

SCHEMBL228000

COC(=O)CCc1ccc(/C(Nc2ccc(CCN(C)C)cc2)=C2/C(=O)Nc3cc(Cl)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CCR9 P51686 1/20 0.36
EPHX2 P34913 1/20 0.36
CHEK1 O14757 1/20 0.35
PLK1 P53350 6/20 0.35
PLK3 Q9H4B4 5/20 0.35
PDGFRB P09619 4/20 0.35
KDR P35968 4/20 0.35
KIT P10721 3/20 0.35
FGFR1 P11362 3/20 0.35
FLT3 P36888 3/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34

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
SCHEMBL228001 1.00 HRH3 (0.39) HRH3KCNH2PSEN1PSEN2APH1B
SCHEMBL228289 0.93 LSS (0.41) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL228288 0.93 LSS (0.41) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL226747 0.91 HRH3 (0.41) HRH3PLK1KDM4EMAPTLRRK2
SCHEMBL226746 0.91 HRH3 (0.41) HRH3PLK1KDM4EMAPTLRRK2
SCHEMBL226586 0.90 BACE1 (0.40) HRH3EPHX2CHEK1PDGFRBKDR
SCHEMBL226585 0.90 BACE1 (0.40) HRH3EPHX2CHEK1PDGFRBKDR
SCHEMBL4498431 0.88 HRH3 (0.41) HRH3PLK1KDM4EMAPTLRRK2
SCHEMBL4498426 0.88 HRH3 (0.41) HRH3PLK1KDM4EMAPTLRRK2
SCHEMBL225856 0.87 PLK1 (0.38) KCNH2CCR9CHEK1PLK1PLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 US disclosed
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP disclosed
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
EP-1835907-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP 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
EP-1835907-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US 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
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
WO-2006067175-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 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-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 HRH3 327/4885KCNH2 3064/4885PSEN1 1100/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR HRH3 293/4885KCNH2 2754/4885PSEN1 1226/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HRH3 869/4885KCNH2 2021/4885PSEN1 999/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR HRH3 293/4885KCNH2 2754/4885PSEN1 1226/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 HRH3 327/4885KCNH2 3064/4885PSEN1 1100/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 HRH3 327/4885KCNH2 3064/4885PSEN1 1100/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 HRH3 501/4885KCNH2 2510/4885PSEN1 1314/4885

“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.