SCHEMBL12665444

SCHEMBL12665444

CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(C)C)CC3)nc21

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.78
▸ CASP1 P29466 1/20 0.78
▸ KDM4E B2RXH2 6/20 0.63
▸ MAPK1 P28482 3/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ ENPP2 Q13822 11/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL11585071 0.93 LMNA (0.77) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL11582405 0.88 LMNA (0.83) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL10123829 0.88 LMNA (0.83) LMNACASP1KDM4EMAPK1CYP2C9
Piromidic Acid SCHEMBL134848 0.88 LMNA (1.00) LMNACASP1KDM4EMAPK1CYP2C9
Piromidic Acid SCHEMBL29479929 0.88 LMNA (1.00) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL26193584 0.87 LMNA (0.98) LMNACASP1KDM4EMAPK1CYP2C9
Piromidic Acid SCHEMBL7759092 0.87 LMNA (0.98) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL11878462 0.87 LMNA (0.74) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL11875351 0.86 LMNA (0.80) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL12665404 0.86 LMNA (0.57) LMNACASP1KDM4EMAPK1CYP2C9

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 1282/4885KDM4E 3691/4885

“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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