SCHEMBL3845554

SCHEMBL3845554

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
PTPN1 P18031 1/20 0.45
RAB9A P51151 3/20 0.43
BACE1 P56817 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.42
CASP3 P42574 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL5273221 0.92 BACE1 (0.44) KMT2ACTDSP1RAB9ABACE1SMN1; SMN2
SCHEMBL479876 0.91 RAB9A (0.46) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL2120036 0.91 RAB9A (0.46) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL480665 0.90 KMT2A (0.44) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL480667 0.90 KMT2A (0.44) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL3845186 0.89 KMT2A (0.43) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL480759 0.89 KMT2A (0.43) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL20807346 0.89 KMT2A (0.46) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL2569238 0.89 SMN1; SMN2 (0.46) KMT2ACTDSP1PTPN1RAB9ABACE1
SCHEMBL2569239 0.89 SMN1; SMN2 (0.46) KMT2ACTDSP1PTPN1RAB9ABACE1

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.