SCHEMBL13699068

SCHEMBL13699068

CC(C)CCCc1ccc(-n2cccn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
USP1 O94782 2/20 0.41
KDM4E B2RXH2 3/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CCNK O75909 4/20 0.39
CDK12 Q9NYV4 4/20 0.39
CXCR4 P61073 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MEN1 O00255 1/20 0.37
MERTK Q12866 1/20 0.37

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
SCHEMBL13625691 0.92 LMNA (0.47) LMNAKMT2AGRNSORT1USP1
SCHEMBL4183301 0.85 LMNA (0.48) LMNAKMT2AGRNSORT1KDM4E
SCHEMBL10130636 0.83 LMNA (0.49) LMNAKMT2AGRNSORT1USP1
SCHEMBL13699056 0.82 ADORA2A (0.35) LMNAKDM4EALDH1A1
SCHEMBL13514043 0.81 LMNA (0.50) LMNAKMT2AGRNSORT1USP1
SCHEMBL13223722 0.78 USP1 (0.37) LMNAKMT2AGRNSORT1USP1
SCHEMBL4178530 0.78 LMNA (0.53) LMNAKMT2AGRNSORT1USP1
SCHEMBL13623563 0.77 LMNA (0.46) LMNAKMT2AGRNSORT1USP1
SCHEMBL18338880 0.75 LMNA (0.53) LMNAKMT2AGRNSORT1USP1
SCHEMBL1599534 0.75 LMNA (0.56) LMNAKMT2AGRNSORT1KDM4E

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
WO-2008019240-A2 3, 6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 LMNA 3616/4885KMT2A 3679/4885GRN 2969/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 LMNA 3009/4885KMT2A 3455/4885GRN 2397/4885

“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.