SCHEMBL556606

SCHEMBL556606

COCCCc1ccc(C#CBr)c(CCNC(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PTGS1 P23219 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL534971 0.88 MTNR1A (0.42) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL533923 0.83 MTNR1A (0.48) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL534402 0.76 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL533834 0.73 MTNR1A (0.59) MTNR1AMTNR1BLMNABLM
SCHEMBL10811907 0.65 HSD17B10 (0.61) KDM4EALDH1A1LMNAMAPTHPGD
SCHEMBL22753781 0.64 ACACB (0.50) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL533826 0.64 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL425450 0.63
SCHEMBL10592850 0.63 KDM4E (0.84) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL534604 0.63 CYP2C8 (0.36) KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-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.