SCHEMBL2563886

SCHEMBL2563886

COC(=O)CCc1ccc(/C(Nc2ccc(C(C)(C)N)cc2)=C2/C(=O)Nc3cc(C(=O)OC)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CASP1 P29466 1/20 0.38
NR1H4 Q96RI1 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
CHEK1 O14757 3/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MEN1 O00255 1/20 0.34
BACE1 P56817 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PSEN1 P49768 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
SCHEMBL3676826 0.93 NR1H4 (0.45) KMT2ACTDSP1CASP1NR1H4EPHX2
SCHEMBL226153 0.91 IDO1 (0.38) KMT2ANR1H4LMNAMAPTSMN1; SMN2
SCHEMBL5623779 0.87 AKT2 (0.37) KMT2ANR1H4LMNAMAPTSMN1; SMN2
SCHEMBL2563889 0.87 CASP1 (0.38) KMT2ACTDSP1CASP1MAPTSMN1; SMN2
SCHEMBL2563891 0.87 CASP1 (0.38) KMT2ACTDSP1CASP1MAPTSMN1; SMN2
SCHEMBL2568537 0.86 KMT2A (0.43) KMT2ACTDSP1CASP1LMNAMAPT
SCHEMBL2571116 0.86 RXFP1 (0.38) KMT2ACTDSP1CASP1LMNAMAPT
SCHEMBL227024 0.84 IDO1 (0.36) NR1H4LMNAMAPTSMN1; SMN2EPHX2
SCHEMBL224405 0.83 BACE1 (0.38) KMT2ANR1H4LMNAMAPTSMN1; SMN2
SCHEMBL14715524 0.83 MAPT (0.39) KMT2ANR1H4LMNAMAPTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2020-10-22 US disclosed
EP-3643309-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2020-04-29 EP disclosed
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES BOEHRINGER INGELHEIM INT (DE) 2019-02-07 US disclosed
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
EP-2878297-A1 Medicaments for the treatment or prevention of fibrotic diseases Boehringer Ingelheim International GmbH (DE) 2015-06-03 EP disclosed
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 US disclosed
EP-2384751-A1 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-09 EP disclosed
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 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 (8 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-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885CASP1 1480/4885
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885CASP1 1480/4885
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885CASP1 1480/4885
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885CASP1 1480/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 KMT2A 4493/4885CTDSP1 3801/4885CASP1 1997/4885
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885CASP1 1480/4885
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885CASP1 1480/4885
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES MMP1, COL1A1, IDO1 KMT2A 3979/4885CTDSP1 4128/4885CASP1 914/4885

“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.