SCHEMBL12665422

SCHEMBL12665422

CC(C)N1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ ATP6V1B2 P21281 1/20 0.56
▸ TBXA2R P21731 1/20 0.56
▸ EDNRA P25101 1/20 0.56
▸ TARBP2 Q15633 1/20 0.56
▸ KMT2A Q03164 1/20 0.46
▸ EPHA2 P29317 1/20 0.45
▸ FLT4 P35916 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ RARB P10826 1/20 0.45
▸ TBXAS1 P24557 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NFKB1 P19838 1/20 0.43

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
SCHEMBL12665451 0.87 LMNA (0.75) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10549152 0.86 DPP4 (0.60) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL28787728 0.85 LMNA (0.76) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL16212997 0.80 LMNA (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL12665433 0.78 ALDH1A1 (0.61) LMNACYP2C9KMT2AKDM4EALDH1A1
SCHEMBL12665404 0.78 LMNA (0.57) LMNACYP2C9KMT2AKDM4EALDH1A1
SCHEMBL12665410 0.77 LMNA (0.43) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4904141 0.77 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11007797 0.77 LMNA (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10377610 0.76 DPP4 (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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 4328/4885CYP2C9 4848/4885ATP6V1B2 3683/4885

“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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