SCHEMBL13255201

SCHEMBL13255201

CNC(=O)CN(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.34
MCL1 Q07820 1/20 0.34
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL13628933 0.95 ALOX15 (0.45) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL791363 0.88 TDP1 (0.56) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL13186220 0.82 TDP1 (0.46) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL15216187 0.81 ALOX15 (0.38) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL15865786 0.81 CA12 (0.39) ALOX15KDM4EMAPTLMNAMCL1
SCHEMBL11617336 0.79 MAPT (0.36) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL19212987 0.79 LMNA (0.37) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12847469 0.77 LMNA (0.41) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12847596 0.77 LMNA (0.41) ALOX15KDM4EMAPTSMN1; SMN2LMNA
SCHEMBL12847696 0.77 LMNA (0.41) ALOX15KDM4EMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019492-B1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
WO-2015003958-A1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-15 WO disclosed
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 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 (1 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 ALOX15 446/4885KDM4E 3659/4885MAPT 3550/4885

“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.