SCHEMBL799386

SCHEMBL799386

Oc1nc(Cc2ccc(Cl)cc2)ns1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CETP P11597 1/20 0.38
ALOX5 P09917 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AB1 P08238 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
RAB9A P51151 2/20 0.36
HTT P42858 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 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
SCHEMBL10051530 0.82 HTR6 (0.38) MAPK1L3MBTL1MAPTALOX5HTR6
SCHEMBL627518 0.81 MAPK1 (0.44) ERCC1ERCC4MAPK1L3MBTL1NPC1
SCHEMBL799823 0.79 L3MBTL1 (0.42) MAPK1L3MBTL1NPC1MAPTCETP
SCHEMBL13718066 0.73 NPC1 (0.42) NPC1KMT2AALDH1A1RAB9A
SCHEMBL13718541 0.71 CYP1A2 (0.50) MAPK1L3MBTL1NPC1MAPTMEN1
SCHEMBL4357196 0.71 SLC6A4 (0.36) MAPK1L3MBTL1NPC1MAPTCETP
SCHEMBL1020371 0.70 NPC1 (0.39) MAPK1L3MBTL1NPC1MAPTCETP
SCHEMBL1021885 0.70 TAAR1 (0.44) MAPK1L3MBTL1NPC1MAPTMEN1
SCHEMBL2002640 0.69 CETP (0.59) CETPHTR6HTR2CHTR2B
SCHEMBL1219378 0.69 SIRT1 (0.44) MAPK1L3MBTL1NPC1MAPTMEN1

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
US-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
US-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide BAYER CROPSCIENCE AG (DE) 2012-03-22 US disclosed
WO-2012019998-A1 PRODUCTION OF N'-(4-{[3-(4-CHLORBENZYL)-1,2,4-THIADIAZOL-5-YL] OXY} -2,5-DIMETHYLPHENYL)-N-ETHYL-N-METHYLIMIDOFORMAMIDE BAYER CROPSCIENCE AG (DE) 2012-02-16 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-20120071663-A1 Preparation of N'-(4--2,5-dimethylphenyl)-N- ethyl-N-methylimidoformamide NT5C, NT5E, NT5C3B ERCC1 1879/4885ERCC4 1025/4885MAPK1 3625/4885

“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.