SCHEMBL6408123

SCHEMBL6408123

Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.63
▸ MAPT P10636 5/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ LMNA P02545 4/20 0.63
▸ THRB P10828 3/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ HTT P42858 2/20 0.62
▸ NPSR1 Q6W5P4 5/20 0.61
▸ CYP1A2 P05177 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ USP2 O75604 1/20 0.57
▸ GPR55 Q9Y2T6 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ GALK1 P51570 1/20 0.53
▸ SAE1 Q9UBE0 1/20 0.53
▸ UBA2 Q9UBT2 1/20 0.53

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
SCHEMBL6403299 0.79 KMT2A (0.63) ALDH1A1MAPTKMT2ALMNATHRB
SCHEMBL12310045 0.79 ALDH1A1 (0.67) ALDH1A1MAPTKMT2ALMNATHRB
SCHEMBL6405002 0.73 ALDH1A1 (0.64) ALDH1A1MAPTKMT2ALMNATHRB
SCHEMBL627575 0.69 BCHE (0.65) ALDH1A1MAPTNPSR1USP2POLB
SCHEMBL4795877 0.69 GAA (0.79) ALDH1A1MAPTKMT2ALMNATHRB
SCHEMBL18389044 0.68 ALDH1A1 (1.00) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL7982855 0.67 BCHE (0.67) MAPTNPSR1POLB
SCHEMBL13166611 0.66 POLB (0.61) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4759685 0.66 BCHE (0.65) ALDH1A1MAPTKMT2AMEN1USP2
SCHEMBL4759501 0.66 BCHE (0.65) ALDH1A1MAPTKMT2AMEN1USP2

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 ALDH1A1 720/4885MAPT 2111/4885KMT2A 2263/4885

“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.

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