SCHEMBL533923

SCHEMBL533923

COCCCc1ccc(Br)c(CCNC(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.48
MTNR1B P49286 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL556606 0.83 MTNR1A (0.44) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL534971 0.78 MTNR1A (0.42) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL534604 0.78 CYP2C8 (0.36) KDM4EALDH1A1MAPT
SCHEMBL11304565 0.77 MTNR1A (0.66) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL14812349 0.74 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL534527 0.74 ALDH1A1 (0.44) SMN1; SMN2KDM4EALDH1A1LMNAMAPT
SCHEMBL31627780 0.74 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL534533 0.74 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL534258 0.71 CYP2C8 (0.34)
SCHEMBL3996984 0.71 SMN1; SMN2 (0.59) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 MTNR1A 2293/4885MTNR1B 1285/4885SMN1; SMN2 4604/4885

“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.