SCHEMBL6409235

SCHEMBL6409235

Clc1ccc(-c2nnc(SCc3ccncc3)[nH]2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH1 P35367 1/20 0.41
DAO P14920 1/20 0.40
HIF1A Q16665 1/20 0.39
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ROCK2 O75116 1/20 0.37
GRK2 P25098 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6407085 0.81 PTGS2 (0.44) HRH1DAOPOLB
SCHEMBL6410210 0.77 HRH1 (0.43) NPY5RHRH1MAPK14MEN1KMT2A
SCHEMBL6405373 0.76 GSK3A (0.50) CYP2D6CYP3A4CYP2C9CYP2C19MAPK14
SCHEMBL6404036 0.75 PRKAG1 (0.49) HRH1MEN1KMT2ARAB9AMAPK1
SCHEMBL6408541 0.75 KDM4E (0.43) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL6404980 0.72 L3MBTL1 (0.52) HRH1DAOMEN1KMT2ARAB9A
SCHEMBL6405546 0.72 HRH1 (0.42) HRH1MEN1KMT2ANPC1RAB9A
SCHEMBL6403770 0.70 SMN1; SMN2 (0.44) MEN1KMT2ANPC1PKMRAB9A
SCHEMBL4207157 0.69 RAB9A (0.58) CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL6406938 0.69 SIGMAR1 (0.48) MAPK14MAPK13MAPK12MAPK11MEN1

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT NPY5R 4855/4885CYP1A2 93/4885CYP2D6 334/4885

“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.