SCHEMBL6405083

SCHEMBL6405083

C=CCn1c(SCC(=O)O)nnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
ALDH1A1 P00352 3/20 0.68
TSHR P16473 1/20 0.61
RECQL P46063 1/20 0.61
KDM4E B2RXH2 1/20 0.58
MAPT P10636 4/20 0.54
ALPG P10696 4/20 0.53
ALPL P05186 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
APOBEC3G Q9HC16 1/20 0.50
PTK2 Q05397 1/20 0.50
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL6404136 0.76 KMT2A (0.64) ALDH1A1TSHRMAPTALPGKMT2A
SCHEMBL19420130 0.75 L3MBTL1 (0.81) L3MBTL1ALDH1A1TSHRRECQLKDM4E
SCHEMBL4213710 0.74 MAPT (0.81) L3MBTL1ALDH1A1RECQLKDM4EMAPT
SCHEMBL6407529 0.73 GAA (0.71) ALDH1A1TSHRKDM4EMAPTALPG
SCHEMBL18181903 0.73 L3MBTL1 (0.65) L3MBTL1ALDH1A1TSHRRECQLKDM4E
SCHEMBL13831536 0.72 MAPT (0.79) L3MBTL1ALDH1A1RECQLKDM4EMAPT
SCHEMBL4208327 0.72 MAPT (0.85) L3MBTL1ALDH1A1RECQLKDM4EMAPT
SCHEMBL13832258 0.72 LMNA (0.64) ALDH1A1TSHRRECQLKDM4EMAPT
SCHEMBL17213020 0.70 ALDH1A1 (0.43) L3MBTL1ALDH1A1TSHRRECQLMAPT
SCHEMBL6404317 0.70 ALDH1A1 (0.64) ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2

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 L3MBTL1 2749/4885ALDH1A1 720/4885TSHR 3470/4885

“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.