SCHEMBL10189375

SCHEMBL10189375

CC(C)(C)c1nnnn1CC#N

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4404540 0.75 ALDH1A1 (0.45) LMNAKMT2A
SCHEMBL13638133 0.74
SCHEMBL22952515 0.74 LMNA (0.38) LMNAKMT2A
SCHEMBL4413092 0.72 CYP1A2 (0.42) LMNAKMT2A
SCHEMBL12775404 0.71 CYP19A1 (0.44)
SCHEMBL10240204 0.71 ALDH1A1 (0.33) LMNAKMT2A
SCHEMBL13225928 0.71 LMNA (0.35) LMNAKMT2A
SCHEMBL4405725 0.71 CNR2 (0.43) LMNAKMT2A
SCHEMBL11076123 0.69
SCHEMBL4409069 0.69 KMT2A (0.41) LMNAKMT2A

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
US-8097594-B2 Macrolides and ketolides having antimicrobial activity WOCKHARDT LTD. (IN) 2012-01-17 US disclosed
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE CHU LIN 2010-06-17 US disclosed
US-7629467-B2 5-lipoxygenase activating protein inhibitors; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity SINDKHEDKAR MILIND DATTATRAYA 2009-10-01 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 (2 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-20090247478-A1 Novel macrolides and ketolides having antimicrobial activity CYP51A1, CASP12, LSS GHSR 1657/4885LMNA 2135/4885KMT2A 2069/4885
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE ALOX5, LTC4S, ALOX15 GHSR 4475/4885LMNA 1308/4885KMT2A 4643/4885

“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.