SCHEMBL228081

SCHEMBL228081

O=C(O)Cc1cccc(C(Nc2ccccc2)=C2C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.43
HPSE Q9Y251 2/20 0.39
NR1H4 Q96RI1 6/20 0.37
PPARG P37231 4/20 0.37
PPARD Q03181 4/20 0.37
PPARA Q07869 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDR P35968 2/20 0.37
FLT3 P36888 2/20 0.37
FLT4 P35916 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
TGM2 P21980 1/20 0.36
ALDH1A1 P00352 1/20 0.36
AGBL2 Q5U5Z8 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL228080 1.00 BACE1 (0.43) BACE1HPSENR1H4PPARGPPARD
SCHEMBL4487925 0.92 BACE1 (0.40) BACE1HPSENR1H4KDRFLT3
SCHEMBL4487921 0.92 BACE1 (0.40) BACE1HPSENR1H4KDRFLT3
SCHEMBL226591 0.91 BACE1 (0.40) BACE1NPC1RAB9AKDRFLT3
SCHEMBL226592 0.91 BACE1 (0.40) BACE1NPC1RAB9AKDRFLT3
SCHEMBL5897738 0.90 BACE1 (0.44) BACE1NR1H4PPARGPPARDPPARA
SCHEMBL5897735 0.90 BACE1 (0.44) BACE1NR1H4PPARGPPARDPPARA
SCHEMBL4492265 0.90 NR1H4 (0.38) BACE1HPSENR1H4PPARGPPARD
SCHEMBL4492270 0.90 NR1H4 (0.38) BACE1HPSENR1H4PPARGPPARD
SCHEMBL4494324 0.90 BACE1 (0.39) BACE1HPSENR1H4NPC1RAB9A

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 6 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
EP-1835907-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
EP-1835907-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP 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

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-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 BACE1 2383/4885HPSE 1291/4885NR1H4 97/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885HPSE 1291/4885NR1H4 97/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885HPSE 1291/4885NR1H4 97/4885

“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.