SCHEMBL12665404

SCHEMBL12665404

CC(C)N1CCN(c2ncc3c(=O)c(C(=O)O)cn(C)c3n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ ENPP2 Q13822 10/20 0.49
▸ KDM4E B2RXH2 6/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL11583113 0.89 CASP1 (0.61) LMNACASP1ENPP2KDM4EMAPK1
SCHEMBL12665444 0.86 LMNA (0.78) LMNACASP1ENPP2KDM4EMAPK1
SCHEMBL11582628 0.83 LMNA (0.59) LMNACASP1ENPP2KDM4EMAPK1
SCHEMBL12665416 0.81 LMNA (0.53) LMNACASP1ENPP2KDM4EMAPK1
SCHEMBL11585071 0.79 LMNA (0.77) LMNACASP1ENPP2KDM4EMAPK1
SCHEMBL12665422 0.78 LMNA (0.56) LMNAKDM4EMAPK1CYP2C9ALDH1A1
SCHEMBL10993577 0.78 LMNA (0.53) LMNACASP1ENPP2KDM4EMAPK1
Water SCHEMBL11584221 0.78 LMNA (0.46) LMNACASP1ENPP2KDM4EMAPK1
SCHEMBL12665414 0.76 LMNA (0.43) LMNACASP1ENPP2KDM4EMAPK1
SCHEMBL11582405 0.76 LMNA (0.83) LMNACASP1ENPP2KDM4EMAPK1

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-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 — — 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB LMNA 4328/4885CASP1 1282/4885ENPP2 223/4885

“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.

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