SCHEMBL3276058

SCHEMBL3276058

NC(=S)NN=C1C=C(O)C(=O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTPN22 Q9Y2R2 1/20 0.39
▸ APAF1 O14727 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ IDO1 P14902 2/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ METTL3 Q86U44 1/20 0.34
▸ BCL2 P10415 1/20 0.33
▸ MCL1 Q07820 1/20 0.33

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
SCHEMBL3077569 0.75 KMT2A (0.53) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL3276060 0.73 MEN1 (0.63) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL3277276 0.73 KMT2A (0.50) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL28047900 0.71 MEN1 (0.59) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL8205415 0.69 MAPT (0.44) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6741819 0.69 IDO1 (0.53) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL6741821 0.69 IDO1 (0.53) KMT2AMEN1GAAKDM4EALDH1A1
SCHEMBL8175789 0.68 MEN1 (0.37) KMT2AMEN1GAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL6743918 0.68 IDO1 (0.51) KMT2AMEN1GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6743915 0.68 IDO1 (0.51) KMT2AMEN1GAAKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691418-B2 Composition for inhibiting or preventing the formation of a biofilm OYSTERSHELL NV (BE) 2010-04-06 — — US disclosed
US-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm OYSTERSHELL NV (BE) 2007-11-08 — — US disclosed
EP-1796656-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM Oystershell NV (BE) 2007-06-20 — — EP disclosed
WO-2006029893-A2 COMPOSITION FOR INHIBITING OR PREVENTING THE FORMATION OF A BIOFILM OYSTERSHELL NV (BE) 2006-03-23 — — WO 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-20070258913-A1 Composition for Inhibiting or Preventing the Formation of a Biofilm NQO2, NFKBIA, CROCC KMT2A 3594/4885MEN1 3614/4885GAA 737/4885

“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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