SCHEMBL3848974

SCHEMBL3848974

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C(=O)NCCC(N)=O)cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
PTPN1 P18031 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
BACE1 P56817 2/20 0.39
CASP1 P29466 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
MAPK14 Q16539 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 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
SCHEMBL3846161 0.93 RAB9A (0.43) KMT2ACTDSP1TDP1TP53POLB
SCHEMBL3849509 0.91 KMT2A (0.42) KMT2ACTDSP1PTPN1TDP1BACE1
SCHEMBL5269090 0.91 BACE1 (0.41) KMT2ATDP1BACE1MAPK14NAMPT
SCHEMBL3849152 0.90 NAMPT (0.47) KMT2ACTDSP1PTPN1TDP1BACE1
SCHEMBL6630723 0.88 TDP1 (0.37) KMT2ACTDSP1TDP1BACE1POLB
SCHEMBL3846251 0.88 MCHR1 (0.44) KMT2ACTDSP1PTPN1TDP1BACE1
SCHEMBL2569857 0.88 ALDH1A1 (0.44) KMT2ACTDSP1PTPN1TDP1BACE1
SCHEMBL2569854 0.88 ALDH1A1 (0.44) KMT2ACTDSP1PTPN1TDP1BACE1
SCHEMBL3845186 0.87 KMT2A (0.43) KMT2ACTDSP1PTPN1TDP1BACE1
SCHEMBL2568771 0.86 NAMPT (0.45) KMT2ACTDSP1PTPN1TDP1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830842-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 US disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 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 (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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 KMT2A 2176/4885CTDSP1 531/4885PTPN1 216/4885
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 KMT2A 4592/4885CTDSP1 3824/4885PTPN1 2173/4885
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 KMT2A 4673/4885CTDSP1 3758/4885PTPN1 2128/4885

“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.