SCHEMBL6403358

SCHEMBL6403358

Sc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
KDM4E B2RXH2 2/20 0.61
GAA P10253 3/20 0.58
MAPT P10636 5/20 0.58
HSP90AA1 P07900 4/20 0.57
HTT P42858 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 5/20 0.50
LMNA P02545 5/20 0.48
TP53 P04637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6405413 0.88 GAA (0.59) TSHRKDM4EGAAMAPTHSP90AA1
SCHEMBL6409638 0.75 ALDH1A1 (0.63) TSHRKDM4EGAAMAPTHSP90AA1
SCHEMBL10480359 0.75 ALDH1A1 (0.51) TSHRKDM4EGAAMAPTNPSR1
SCHEMBL10012854 0.75 SMN1; SMN2 (0.52) TSHRKDM4EMAPTHTTNPSR1
SCHEMBL5012601 0.73 SMN1; SMN2 (0.41) TSHRKDM4EHTTNPSR1ALDH1A1
SCHEMBL15801095 0.73 KDM4E (0.45) TSHRKDM4EMAPTNPSR1ALDH1A1
SCHEMBL4207462 0.73 HSP90AA1 (1.00) TSHRKDM4EGAAMAPTHSP90AA1
SCHEMBL1104402 0.73 ALDH1A1 (0.55) TSHRKDM4EMAPTNPSR1ALDH1A1
SCHEMBL587762 0.72 HTT (0.64) KDM4EGAAMAPTHTTNPSR1
SCHEMBL10480370 0.71 CYP19A1 (0.45) TSHRKDM4EMAPTNPSR1ALDH1A1

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 TSHR 3470/4885KDM4E 3676/4885GAA 85/4885

“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.