SCHEMBL6406937

SCHEMBL6406937

COc1ccc(-n2c(SC)nnc2-c2ccccc2Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
ALDH1A1 P00352 5/20 0.54
TSHR P16473 4/20 0.54
TLR8 Q9NR97 1/20 0.49
NPSR1 Q6W5P4 3/20 0.48
RECQL P46063 1/20 0.48
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
OXTR P30559 2/20 0.46
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL6251016 0.80 ALDH1A1 (0.67) KMT2AMEN1ALDH1A1TSHRNPSR1
Hydrochloric Acid SCHEMBL11375354 0.76 TLR8 (0.57) KMT2AMEN1ALDH1A1TSHRTLR8
SCHEMBL11919912 0.76 TNKS2 (0.58) KMT2AMEN1ALDH1A1TSHRTLR8
Hydrochloric Acid SCHEMBL11154758 0.75 POLB (0.53) KMT2AMEN1ALDH1A1TSHRTLR8
SCHEMBL6244967 0.74 KMT2A (0.63) KMT2AMEN1ALDH1A1TSHRHPGD
SCHEMBL14925000 0.73 TLR8 (0.46) KMT2AMEN1ALDH1A1TSHRTLR8
SCHEMBL5006533 0.72 TLR8 (0.45) KMT2AMEN1ALDH1A1TSHRTLR8
SCHEMBL5002770 0.72 HSP90AA1 (0.60) KMT2AMEN1ALDH1A1TSHRTLR8
SCHEMBL28255661 0.71 TP53 (0.51) KMT2AMEN1ALDH1A1TSHRNPSR1
SCHEMBL6406560 0.71 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1TLR8NPSR1

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 2263/4885MEN1 3562/4885ALDH1A1 720/4885

“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.