SCHEMBL4778811

SCHEMBL4778811

O=CCN1c2ccccc2Sc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM1A O60341 5/20 0.49
PTGS1 P23219 3/20 0.49
PTGS2 P35354 2/20 0.49
PIM1 P11309 1/20 0.49
BCHE P06276 2/20 0.47
MAOA P21397 1/20 0.47
CYP2D6 P10635 3/20 0.46
SLC22A1 O15245 2/20 0.46
PRNP P04156 2/20 0.46
CYP1A2 P05177 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
HTR1A P08908 2/20 0.46
CHRM5 P08912 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD2 P14416 2/20 0.46

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
SCHEMBL15775178 0.82 MEN1 (0.44) LMNAKMT2AMEN1KDM1APTGS1
SCHEMBL5241327 0.82 CYP1A2 (0.60) LMNAKMT2AMEN1KDM1APTGS1
SCHEMBL29376932 0.80 KMT2A (0.52) LMNAKMT2AMEN1KDM1APTGS1
SCHEMBL39172 0.80 KMT2A (0.52) LMNAKMT2AMEN1KDM1APTGS1
Iodide SCHEMBL11442732 0.78 KMT2A (0.51) LMNAKMT2AMEN1KDM1APTGS1
SCHEMBL11277636 0.78 PIM1 (0.60) LMNAKMT2AMEN1KDM1APIM1
SCHEMBL9279103 0.77 PIM1 (0.50) LMNAKMT2AMEN1KDM1APTGS1
SCHEMBL19076255 0.74 ALDH1A1 (0.53) LMNAKMT2AMEN1KDM1APTGS1
SCHEMBL11784508 0.74 BCHE (0.48) LMNAKMT2AMEN1KDM1APTGS1
SCHEMBL9257943 0.73 KMT2A (0.44) LMNAKMT2AMEN1KDM1APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014086478-A1 INHIBITORS OF MALT1 PROTEASE Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2014-06-12 WO disclosed
WO-2008009935-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USE UCL BUSINESS PLC (GB) 2008-01-24 WO disclosed
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 LMNA 4116/4885KMT2A 2263/4885MEN1 3562/4885

“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.