SCHEMBL226986

SCHEMBL226986

O=C(O)CCc1ccc(C(Nc2ccccc2)=C2C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.47
FFAR1 O14842 9/20 0.41
FFAR4 Q5NUL3 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAOB P27338 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAOA P21397 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL226985 1.00 BACE1 (0.47) BACE1FFAR1FFAR4HDAC3HDAC1
SCHEMBL228392 0.91 BACE1 (0.43) BACE1FFAR1FFAR4HDAC3HDAC1
SCHEMBL228391 0.91 BACE1 (0.43) BACE1FFAR1FFAR4HDAC3HDAC1
SCHEMBL223880 0.91 BACE1 (0.45) BACE1FFAR1FFAR4HDAC3HDAC1
SCHEMBL223879 0.91 BACE1 (0.45) BACE1FFAR1FFAR4HDAC3HDAC1
SCHEMBL225379 0.90 BACE1 (0.43) BACE1FFAR1HDAC3HDAC1HDAC2
SCHEMBL5897735 0.90 BACE1 (0.44) BACE1FFAR1FFAR4HDAC3HDAC1
SCHEMBL5897738 0.90 BACE1 (0.44) BACE1FFAR1FFAR4HDAC3HDAC1
SCHEMBL226113 0.90 BACE1 (0.47) BACE1FFAR1HDAC3HDAC1HDAC2
SCHEMBL226114 0.90 BACE1 (0.47) BACE1FFAR1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 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 (2 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 2383/4885FFAR1 1856/4885FFAR4 3331/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885FFAR1 1856/4885FFAR4 3331/4885

“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.