SCHEMBL1839043

SCHEMBL1839043

CSc1ccc(/C(N)=C\C(N)=S)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 9/20 0.42
HPGD P15428 5/20 0.42
HSD17B10 Q99714 2/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
IDO1 P14902 1/20 0.41
PLK1 P53350 1/20 0.40
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL1839047 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL3887595 0.77 MEN1 (0.50) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL10956169 0.74 LMNA (0.45) ALDH1A1HPGDHSD17B10IDO1LMNA
SCHEMBL10956171 0.74 LMNA (0.45) ALDH1A1HPGDHSD17B10IDO1LMNA
SCHEMBL11124453 0.74 METTL3 (0.42) ALDH1A1NOS3NOS1IDO1MAPT
SCHEMBL11124456 0.74 METTL3 (0.42) ALDH1A1NOS3NOS1IDO1MAPT
SCHEMBL11122326 0.73 MAPK1 (0.60) ALDH1A1HPGDHSD17B10MAPTRAB9A
SCHEMBL11122325 0.73 MAPK1 (0.60) ALDH1A1HPGDHSD17B10MAPTRAB9A
SCHEMBL1839901 0.73 MAPT (0.42) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL12285402 0.73 MAPT (0.42) MEN1KMT2AALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960419-B2 Substituted carboxamides ELI LILLY AND COMPANY (US) 2011-06-14 US disclosed
EP-2076502-B1 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2011-05-18 EP disclosed
US-20090182025-A1 SUBSTITUTED CARBOXAMIDES ELI LILLY AND COMPANY 2009-07-16 US disclosed
EP-2076502-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2009-07-08 EP disclosed
WO-2008103185-A2 SUBSTITUTED CARBOXAMIDES AS GROUP I METABOTROPIC RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2008-08-28 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-20090182025-A1 SUBSTITUTED CARBOXAMIDES CNR2, TRPV1, CNR1 MEN1 3234/4885KMT2A 1033/4885ALDH1A1 831/4885

“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.