SCHEMBL226113

SCHEMBL226113

O=C(O)Cc1ccc(/C(Nc2ccccc2)=C2/C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.47
NR1H4 Q96RI1 5/20 0.41
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
KDR P35968 2/20 0.38
FLT3 P36888 2/20 0.38
FLT4 P35916 1/20 0.38
TGM2 P21980 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RORC P51449 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
SCHEMBL226114 1.00 BACE1 (0.47) BACE1NR1H4NPC1POLBMAOB
SCHEMBL4482028 0.91 BACE1 (0.42) BACE1NR1H4TP53MAPTSMN1; SMN2
SCHEMBL4482025 0.91 BACE1 (0.42) BACE1NR1H4TP53MAPTSMN1; SMN2
SCHEMBL226623 0.90 BACE1 (0.44) BACE1NPC1POLBMAOBRAB9A
SCHEMBL226624 0.90 BACE1 (0.44) BACE1NPC1POLBMAOBRAB9A
SCHEMBL226986 0.90 BACE1 (0.47) BACE1NR1H4NPC1POLBMAOB
SCHEMBL226985 0.90 BACE1 (0.47) BACE1NR1H4NPC1POLBMAOB
SCHEMBL228080 0.90 BACE1 (0.43) BACE1NR1H4NPC1RAB9ATP53
SCHEMBL228081 0.90 BACE1 (0.43) BACE1NR1H4NPC1RAB9ATP53
SCHEMBL4482547 0.89 BACE1 (0.41) BACE1NR1H4TP53MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2383/4885NR1H4 97/4885NPC1 650/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 BACE1 2383/4885NR1H4 97/4885NPC1 650/4885

“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.