SCHEMBL2544053

SCHEMBL2544053

CC(=NO)c1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.44
FPR2 P25090 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
KCNH2 Q12809 2/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
IGFBP3 P17936 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL753409 1.00 SCN9A (0.44) SCN9AFPR2MEN1KMT2ASLC6A4
SCHEMBL2970975 0.83 MAPT (0.62) MEN1KMT2ASLC6A4KCNH2SMN1; SMN2
SCHEMBL2970972 0.83 MAPT (0.62) MEN1KMT2ASLC6A4KCNH2SMN1; SMN2
SCHEMBL756150 0.82 MAPT (0.53) SCN9AFPR2SMN1; SMN2MAPTHPGD
SCHEMBL16255397 0.80 FURIN (0.50) MEN1KMT2AALDH1A1CYP1A2MAPT
SCHEMBL11540799 0.77 SCN9A (0.45) SCN9AFPR2MEN1KMT2ASLC6A4
SCHEMBL10559362 0.77 SCN9A (0.50) SCN9AFPR2MEN1KMT2ASLC6A4
SCHEMBL15360092 0.77 SLC6A4 (0.55) SCN9AMEN1KMT2ASLC6A4SLC6A2
SCHEMBL6826221 0.77 F2 (0.60) SCN9AFPR2MEN1KMT2ASMN1; SMN2
SCHEMBL11544485 0.76 SCN9A (0.46) SCN9AFPR2SMN1; SMN2IGFBP3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916589-B2 Bradykinin B1-antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-23 US disclosed
US-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 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-20110263626-A1 NOVEL BRADYKININ B1-ANTAGONISTS BDKRB1, BDKRB2, EDNRB SCN9A 613/4885FPR2 338/4885MEN1 341/4885

“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.