SCHEMBL6410076

SCHEMBL6410076

CCn1c(S)nnc1COc1ccc(Cl)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
VCP P55072 1/20 0.42
MCL1 Q07820 1/20 0.42
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
POLB P06746 2/20 0.39
ADRB2 P07550 1/20 0.39
HTT P42858 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL6405035 0.78 MAPT (0.53) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10012011 0.76 TSHR (0.52) KMT2ASMN1; SMN2NPC1RAB9AVCP
SCHEMBL254817 0.69 MCL1 (0.61) KMT2ASMN1; SMN2NPC1RAB9AMCL1
SCHEMBL6409749 0.68 MEN1 (0.59) KMT2ASMN1; SMN2RAB9AMAPTTSHR
SCHEMBL6403796 0.68 TSHR (0.57) KMT2ASMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12905265 0.66 MCL1 (0.57) KMT2ASMN1; SMN2NPC1RAB9AMCL1
SCHEMBL14473813 0.66 GAA (0.59) KMT2ASMN1; SMN2NPC1RAB9AMCL1
SCHEMBL6404305 0.66 ALDH1A1 (0.55) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10269942 0.65 HRH3 (0.56) KMT2ASMN1; SMN2NPC1RAB9AMCL1
SCHEMBL9306893 0.65 MRGPRX4 (0.68) KMT2ASMN1; SMN2NPC1RAB9AMCL1

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 KMT2A 2263/4885RXRA 2854/4885RXRB 2513/4885

“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.