SCHEMBL228621

SCHEMBL228621

O=C(O)CCc1cccc(C(Nc2ccc(CN3CCSCC3)cc2)=C2C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
FFAR1 O14842 2/20 0.37
MCHR1 Q99705 1/20 0.37
CSF1R P07333 1/20 0.36
FAAH O00519 3/20 0.36
BACE1 P56817 1/20 0.36
POLB P06746 1/20 0.36
SLC2A1 P11166 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP4K4 O95819 1/20 0.34
TNIK Q9UKE5 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
SCHEMBL228620 1.00 RAB9A (0.40) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL223686 0.93 MCHR1 (0.44) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL227093 0.93 MCHR1 (0.42) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL227092 0.93 MCHR1 (0.42) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL223687 0.93 MCHR1 (0.44) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL4492475 0.92 MCHR1 (0.45) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL4492479 0.92 MCHR1 (0.45) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL227189 0.92 MCHR1 (0.41) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL227190 0.92 MCHR1 (0.41) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL224896 0.92 SLC2A1 (0.44) RAB9ANPC1ALDH1A1TP53SMN1; 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 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 RAB9A 3218/4885NPC1 650/4885ALDH1A1 106/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR RAB9A 3318/4885NPC1 4190/4885ALDH1A1 3469/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR RAB9A 1671/4885NPC1 3787/4885ALDH1A1 2036/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR RAB9A 3318/4885NPC1 4190/4885ALDH1A1 3469/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 RAB9A 3218/4885NPC1 650/4885ALDH1A1 106/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 RAB9A 3218/4885NPC1 650/4885ALDH1A1 106/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 RAB9A 3278/4885NPC1 4098/4885ALDH1A1 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.