SCHEMBL10242307

SCHEMBL10242307

CCc1nnn(CC#N)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4412024 0.76
SCHEMBL5377204 0.73 KMT2A (0.49) LMNAKMT2AATM
SCHEMBL4413215 0.72 RECQL (0.42) LMNANPSR1NPC1RAB9AKMT2A
SCHEMBL4413264 0.71
SCHEMBL5754487 0.71
SCHEMBL10189371 0.71 MAPT (0.42) CNR2LMNATP53MAPTNPSR1
SCHEMBL4412009 0.69 PKM (0.34) CNR2PKMATMHSD17B10
SCHEMBL25958865 0.69 MAOB (0.38) PKMATMHSD17B10
SCHEMBL1324895 0.69 PKM (0.34) KMT2APKMATMHSD17B10
SCHEMBL12603040 0.69 PKM (0.34) KMT2APKMATMHSD17B10

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 CNR2 4517/4885LMNA 2135/4885TP53 4723/4885
US-20100152185-A1 DIPHENYL SUBSTITUTED CYCLOALKANES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE ALOX5, LTC4S, ALOX15 CNR2 327/4885LMNA 1308/4885TP53 4777/4885

“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.