SCHEMBL12801457

SCHEMBL12801457

O=C(O)CN1CCN(CC(=O)O)CCN(C(CCCNC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)C(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ GMNN O75496 1/20 0.54
▸ TTR P02766 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ UGT1A1 P22309 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ DHODH Q02127 1/20 0.54
▸ TEAD4 Q15561 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ GPR35 Q9HC97 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL18752846 0.95 LMNA (0.51) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12801456 0.89 RXFP1 (0.50) LMNAALDH1A1CYP1A2CYP2C9TEAD4
SCHEMBL18752850 0.84 RXFP1 (0.45) LMNAALDH1A1CYP1A2CYP2C9TEAD4
SCHEMBL8361644 0.76 LMNA (0.51) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL12608891 0.74 LMNA (0.67) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL5953848 0.73 LMNA (0.78) LMNAALDH1A1MEN1KMT2ACYP1A2
Niflumic Acid SCHEMBL4886924 0.72 DHODH (1.00) LMNAALDH1A1MEN1KMT2ACYP1A2
Niflumic Acid SCHEMBL29364001 0.72 DHODH (1.00) LMNAALDH1A1MEN1KMT2ACYP1A2
Niflumic Acid SCHEMBL24706 0.72 DHODH (1.00) LMNAALDH1A1MEN1KMT2ACYP1A2
Niflumic Acid SCHEMBL29373503 0.72 DHODH (1.00) LMNAALDH1A1MEN1KMT2ACYP1A2

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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 — — 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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR LMNA 4784/4885ALDH1A1 4744/4885MEN1 175/4885

“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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