SCHEMBL95019

SCHEMBL95019

[2H]C([2H])(c1ccc(Cl)cc1)n1c(CCl)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TNF P01375 1/20 0.54
CXCL8 P10145 1/20 0.54
SOS1 Q07889 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
GALR3 O60755 1/20 0.54
NR2F2 P24468 1/20 0.54
RAB9A P51151 1/20 0.54
HIF1A Q16665 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KCNH2 Q12809 2/20 0.53
LMNA P02545 2/20 0.53
NR1I2 O75469 1/20 0.53
ABCB11 O95342 1/20 0.53
ESR1 P03372 1/20 0.53
CYP1A2 P05177 1/20 0.53
PGR P06401 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL95065 0.87 MEN1 (0.79) MEN1KMT2ATNFCXCL8SOS1
Clemizole SCHEMBL95696 0.83 HIF1A (0.67) MEN1KMT2AHIF1ATDP1KCNH2
Clemizole SCHEMBL95609 0.82 HIF1A (0.62) MEN1KMT2ATNFCXCL8SOS1
Clemizole SCHEMBL95075 0.82 HIF1A (0.56) MEN1KMT2ATNFCXCL8SOS1
Clemizole SCHEMBL95207 0.82 HIF1A (0.59) MEN1KMT2ATNFCXCL8SOS1
Clemizole SCHEMBL95037 0.82 HIF1A (0.81) MEN1KMT2AHIF1ATDP1KCNH2
SCHEMBL134623 0.80 MEN1 (0.68) MEN1KMT2ATNFCXCL8SOS1
SCHEMBL103530 0.75 MEN1 (1.00) MEN1KMT2ATNFRAB9ALMNA
SCHEMBL13041956 0.75 HIF1A (0.48) MEN1KMT2ATNFCXCL8SOS1
SCHEMBL13041954 0.75 HIF1A (0.54) MEN1KMT2ATNFCXCL8SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058085-A1 Deuterium Modified Benzimidazoles CONCERT PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN AUSPEX PHARMACEUTICALS, INC. (US) 2010-11-11 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 (2 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 1259/4885TNF 4606/4885
US-20100284970-A1 BENZIMIDAZOLE MODULATORS OF H1 RECEPTOR AND/OR NS4B PROTEIN HRH4, H1-4, HRH3 MEN1 4539/4885KMT2A 278/4885TNF 4832/4885

“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.