SCHEMBL4094764

SCHEMBL4094764

COc1ccc(-c2csc(NN=CC=Cc3ccccc3)n2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.78
MAPT P10636 8/20 0.78
KMT2A Q03164 8/20 0.78
GAA P10253 7/20 0.78
ALDH1A1 P00352 5/20 0.78
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
ALOX5 P09917 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
MCL1 Q07820 1/20 0.57
RECQL P46063 1/20 0.57
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAOB P27338 4/20 0.53
MAOA P21397 3/20 0.53
ADORA3 P0DMS8 1/20 0.52
PTGS2 P35354 1/20 0.51

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
SCHEMBL4094760 1.00 MEN1 (0.78) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL4093808 0.89 GAA (0.86) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL4093805 0.89 GAA (0.86) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL1435490 0.87 GAA (1.00) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL1435489 0.87 GAA (1.00) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL1436233 0.85 MAPT (0.79) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL1436231 0.85 MAPT (0.79) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL4083570 0.85 GAA (0.79) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL4083529 0.85 MEN1 (0.79) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL4083567 0.85 GAA (0.79) MEN1MAPTKMT2AGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 US claimed
US-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE TROPHOS PARC SCIENTIFIQUE LUMINY (FR) 2009-08-13 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-20090203747-A1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICINE NLN, NQO1, APP MEN1 1055/4885MAPT 31/4885KMT2A 3202/4885

“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.