SCHEMBL12149749

SCHEMBL12149749

CN(CCc1ccccn1)c1ccc(C(=O)O)c(OCc2cccc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.50
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ HIF1A Q16665 2/20 0.42
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MCL1 Q07820 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40

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
SCHEMBL12149781 0.85 FDPS (0.56) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL12149778 0.84 FDPS (0.54) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL12149817 0.83 FDPS (0.53) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL12149571 0.82 FDPS (0.61) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL12149816 0.78 FDPS (0.59) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL12149861 0.75 PARP10 (0.67) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL12149578 0.74 FDPS (0.64) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL12151724 0.73 FDPS (0.60) FDPSPARP15PARP10KDM4EALDH1A1
SCHEMBL12149786 0.72 FDPS (0.50) FDPSKEAP1NFE2L2PARP15PARP10
SCHEMBL1377926 0.72 FDPS (0.61) FDPSPARP15PARP10KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 — — US disclosed
US-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2011-11-24 — — US disclosed
WO-2010043584-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS NOVARTIS AG (CH) 2010-04-22 — — WO 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-20110288057-A1 SALICYLIC ACID DERIVATIVES BEING FARNESYL PYROPHOSPHATE SYNTHASE ACTIVITY INHIBITORS FDPS, GGPS1, COASY FDPS 1/4885CYP1A2 1609/4885CYP3A4 2668/4885

“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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