SCHEMBL12665451

SCHEMBL12665451

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(C)C)CC3)nc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.75
▸ CYP2C9 P11712 1/20 0.75
▸ ATP6V1B2 P21281 1/20 0.75
▸ TBXA2R P21731 1/20 0.75
▸ EDNRA P25101 1/20 0.75
▸ TARBP2 Q15633 1/20 0.75
▸ DRD3 P35462 1/20 0.51
▸ CASP1 P29466 1/20 0.50
▸ HSD17B10 Q99714 3/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL8044673 0.89 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4904141 0.89 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11153426 0.89 LMNA (0.82) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10028900 0.88 LMNA (0.81) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL12665422 0.87 LMNA (0.56) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10108591 0.86 LMNA (0.75) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL29384458 0.86 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL33963 0.86 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11080390 0.86 LMNA (0.78) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL2635855 0.86 LMNA (1.00) 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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