SCHEMBL6406802

SCHEMBL6406802

COc1ccccc1-c1nnc(S)n1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
GFER P55789 1/20 0.57
CPB1 P15086 2/20 0.54
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.46
CXCR2 P25025 1/20 0.45
NPSR1 Q6W5P4 4/20 0.43
HTT P42858 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
BRD4 O60885 1/20 0.43
TSHR P16473 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL10011720 0.80 PDE4A (0.49) KMT2AALDH1A1RAB9ANPC1TP53
SCHEMBL10480396 0.80 ALDH1A1 (0.51) KMT2AALDH1A1HTTKDM4ELMNA
SCHEMBL14160787 0.80 KDM4E (0.50) ALDH1A1RAB9ANPC1NPSR1KDM4E
SCHEMBL28820656 0.80 GAA (0.58) KMT2AGFERALDH1A1RAB9ANPC1
SCHEMBL6404570 0.78 KMT2A (0.46) KMT2AGFERCPB1ALDH1A1RAB9A
SCHEMBL1104386 0.78 ALDH1A1 (0.59) KMT2AGFERALDH1A1RAB9ANPC1
SCHEMBL6406974 0.76 KMT2A (0.63) KMT2AGFERALDH1A1RAB9ANPC1
SCHEMBL6404731 0.76 ALDH1A1 (0.59) KMT2AALDH1A1RAB9ANPSR1HTT
SCHEMBL1104400 0.76 ALDH1A1 (0.50) KMT2AALDH1A1RAB9ATP53NPSR1
SCHEMBL12110607 0.75 ALDH1A1 (0.55) KMT2AGFERALDH1A1RAB9ANPC1

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 2263/4885GFER 932/4885CPB1 1022/4885

“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.