Clemizole

Clemizole

SCHEMBL95089

[2H]C1([2H])N(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C([2H])([2H])C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.74

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.74
TDP1 Q9NUW8 2/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2D6 P10635 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
KCNH2 Q12809 2/20 0.74
NR1I2 O75469 1/20 0.74
ABCB11 O95342 1/20 0.74
LMNA P02545 1/20 0.74
ESR1 P03372 1/20 0.74
PGR P06401 1/20 0.74
CYP3A4 P08684 1/20 0.74
PKM P14618 1/20 0.74
TSHR P16473 1/20 0.74
ADRA2B P18089 1/20 0.74
HTR2A P28223 1/20 0.74
ADRA1A P35348 1/20 0.74
HRH1 P35367 1/20 0.74
HTR2B P41595 1/20 0.74

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
Clemizole SCHEMBL95431 0.92 HIF1A (0.79) HIF1ATDP1CYP1A2CYP2D6CYP2C9
Clemizole SCHEMBL95609 0.91 HIF1A (0.62) HIF1ATDP1CYP1A2CYP2D6CYP2C9
Clemizole SCHEMBL95645 0.90 HIF1A (0.64) HIF1ATDP1CYP1A2CYP2D6CYP2C9
Clemizole SCHEMBL95774 0.90 HIF1A (0.83) HIF1ATDP1CYP1A2CYP2D6CYP2C9
SCHEMBL95199 0.88 MEN1 (0.64) HIF1ATDP1CYP1A2CYP2D6CYP2C9
Clemizole SCHEMBL3737473 0.86 HIF1A (0.86) HIF1ATDP1CYP1A2CYP2D6CYP2C9
Clemizole SCHEMBL29938 0.85 HIF1A (1.00) HIF1ATDP1CYP1A2CYP2D6CYP2C9
SCHEMBL13559817 0.85 HIF1A (0.76) HIF1ATDP1CYP1A2CYP2D6CYP2C9
Clemizole SCHEMBL29403196 0.85 HIF1A (1.00) HIF1ATDP1CYP1A2CYP2D6CYP2C9
Clemizole SCHEMBL3754755 0.85 HIF1A (0.86) HIF1ATDP1CYP1A2CYP2D6CYP2C9

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-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 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-20120058085-A1 Deuterium Modified Benzimidazoles POLRMT, EIF2AK2, DUT HIF1A 573/4885TDP1 1787/4885CYP1A2 936/4885

“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.