SCHEMBL94953

SCHEMBL94953

[2H]C([2H])(c1nc2ccccc2n1C([2H])([2H])c1ccc(C)cc1)N1C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 4/20 0.52
TP53 P04637 3/20 0.52
HTT P42858 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTR3A P46098 1/20 0.45
KDM4E B2RXH2 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CYP2D6 P10635 4/20 0.42
HRH1 P35367 3/20 0.42
KCNH2 Q12809 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42

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
SCHEMBL95200 0.93 MEN1 (0.62) MEN1KMT2ALMNATP53HTT
SCHEMBL94945 0.93 MEN1 (0.52) MEN1KMT2ALMNATP53HTT
Clemizole SCHEMBL95075 0.88 HIF1A (0.56) MEN1KMT2ALMNAHTTMAPT
SCHEMBL94944 0.86 MEN1 (0.51) MEN1KMT2ALMNATP53HTT
SCHEMBL94946 0.85 MEN1 (0.53) MEN1KMT2ALMNATP53HTT
SCHEMBL95502 0.83 MEN1 (0.62) MEN1KMT2ALMNATP53HTT
SCHEMBL95515 0.83 CYP1A2 (0.63) MEN1KMT2ALMNAMAPTCYP2D6
SCHEMBL95199 0.82 MEN1 (0.64) MEN1KMT2ALMNATP53HTT
Clemizole SCHEMBL95645 0.81 HIF1A (0.64) MEN1KMT2ALMNAMAPTRAB9A
Clemizole SCHEMBL95609 0.81 HIF1A (0.62) MEN1KMT2ALMNAHTTMAPT

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 MEN1 4528/4885KMT2A 1259/4885LMNA 2365/4885

“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.