SCHEMBL228825

SCHEMBL228825

CN(C)C(=O)CN(c1ccc(NC(=C2C(=O)Nc3cc(Br)ccc32)c2ccc(CCC(=O)O)cc2)cc1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GALR3 O60755 1/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDR P35968 2/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
LMNA P02545 2/20 0.32
KIT P10721 1/20 0.31
FLT4 P35916 1/20 0.31
FLT3 P36888 1/20 0.31
CHEK1 O14757 2/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL228824 1.00 NPC1 (0.34) NPC1RAB9AALDH1A1IDO1KDM4E
SCHEMBL226520 0.92 KMT2A (0.35) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL226519 0.92 KMT2A (0.35) NPC1RAB9AALDH1A1POLBSMN1; SMN2
SCHEMBL226992 0.92 ALDH1A1 (0.39) NPC1RAB9AALDH1A1KDM4EGALR3
SCHEMBL226993 0.92 ALDH1A1 (0.39) NPC1RAB9AALDH1A1KDM4EGALR3
SCHEMBL228366 0.92 ALDH1A1 (0.37) NPC1RAB9AALDH1A1KDM4EGALR3
SCHEMBL228367 0.92 ALDH1A1 (0.37) NPC1RAB9AALDH1A1KDM4EGALR3
SCHEMBL226880 0.90 IDO1 (0.34) NPC1RAB9AALDH1A1IDO1KDM4E
SCHEMBL226881 0.90 IDO1 (0.34) NPC1RAB9AALDH1A1IDO1KDM4E
SCHEMBL226883 0.89 RAB9A (0.44) NPC1RAB9AALDH1A1IDO1KDM4E

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 14 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
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 NPC1 650/4885RAB9A 3218/4885ALDH1A1 106/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR NPC1 4190/4885RAB9A 3318/4885ALDH1A1 3469/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR NPC1 3787/4885RAB9A 1671/4885ALDH1A1 2036/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR NPC1 4190/4885RAB9A 3318/4885ALDH1A1 3469/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 NPC1 650/4885RAB9A 3218/4885ALDH1A1 106/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 NPC1 650/4885RAB9A 3218/4885ALDH1A1 106/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 NPC1 4098/4885RAB9A 3278/4885ALDH1A1 2738/4885

“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.