SCHEMBL6408541

SCHEMBL6408541

CCCCSc1nnc(-c2ccc(Cl)c(Cl)c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HRH1 P35367 1/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2B6 P20813 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL6410210 0.83 HRH1 (0.43) KDM4EHRH1HTTMAPTMEN1
SCHEMBL6405546 0.83 HRH1 (0.42) KDM4EHRH1TSHRALDH1A1HTT
SCHEMBL6405965 0.79 KDM4E (0.47) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL6407548 0.77 CYP2C9 (0.52) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL6404036 0.76 PRKAG1 (0.49) KDM4EHRH1ALDH1A1MAPTMAPK1
SCHEMBL6409235 0.75 NPY5R (0.43) HRH1HTTMAPK1CYP2C9CYP2C19
SCHEMBL6410250 0.74 HRH1 (0.46) KDM4EHRH1TSHRALDH1A1HTT
SCHEMBL6406938 0.74 SIGMAR1 (0.48) KDM4ETSHRALDH1A1MAPTMAPK1
SCHEMBL6405244 0.74 LMNA (0.45) KDM4ETSHRALDH1A1HTTMAPT
SCHEMBL6407085 0.72 PTGS2 (0.44) KDM4EHRH1ALDH1A1MAPTLMNA

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 KDM4E 3676/4885HRH1 2884/4885TSHR 3470/4885

“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.