SCHEMBL557108

SCHEMBL557108

COCCCC(CNC(C)=O)c1ccccc1C#C[Si](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.36
MTNR1B P49286 8/20 0.36
HTR2C P28335 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 2/20 0.33
MC4R P32245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL533860 0.88 MTNR1A (0.38) MTNR1AMTNR1BHTR2CTDP1KDM4E
SCHEMBL555862 0.78 MTNR1A (0.41) MTNR1AMTNR1BHTR2CTDP1KDM4E
SCHEMBL14576568 0.68 KMT2A (0.39) KDM4EMEN1MAPTKMT2ANPSR1
SCHEMBL534788 0.68 CYP3A4 (0.33) KDM4EMEN1KMT2AHPGDALDH1A1
SCHEMBL534971 0.65 MTNR1A (0.42) MTNR1AMTNR1BKDM4EMAPTHPGD
SCHEMBL534744 0.65 MTNR1A (0.51) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL12478214 0.64 MAPT (0.41) KDM4EMEN1MAPTMAPK1RECQL
SCHEMBL31064183 0.64 MAPT (0.41) KDM4EMEN1MAPTMAPK1RECQL
SCHEMBL15502329 0.63 TSHR (0.39) KDM4EMEN1MAPTKMT2AHPGD
SCHEMBL15502435 0.63 CXCL8 (0.40) KDM4EMEN1NPC1MAPTRAB9A

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 1285/4885HTR2C 2629/4885

“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.