SCHEMBL1428432

SCHEMBL1428432

CCOc1ccc(N=C=O)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
MAPK1 P28482 1/20 0.56
RORC P51449 1/20 0.47
ERN1 O75460 1/20 0.44
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.41
TRPA1 O75762 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 1/20 0.40
NPC1 O15118 3/20 0.39

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
SCHEMBL10827257 0.85 CYP3A4 (0.44) TDP1MAPK1MAPTRAB9AL3MBTL1
SCHEMBL11526292 0.84 TDP1 (0.56) TDP1MAPK1RORCMAPTRAB9A
SCHEMBL6153230 0.84 TDP1 (0.49) TDP1MAPK1RORCERN1MAPT
SCHEMBL11685252 0.83 TDP1 (0.54) TDP1MAPK1MAPTRAB9AL3MBTL1
SCHEMBL29703185 0.82 CYP3A4 (0.54) TDP1MAPK1MAPTRAB9ACYP3A4
SCHEMBL166652 0.82 CYP3A4 (0.54) TDP1MAPK1MAPTRAB9ACYP3A4
SCHEMBL421340 0.81 TDP1 (0.61) TDP1MAPK1MAPTRAB9ACYP3A4
SCHEMBL17027575 0.81 MAPT (0.50) TDP1MAPK1MAPTRAB9AL3MBTL1
SCHEMBL6504746 0.81 MAPT (0.43) TDP1MAPK1MAPTL3MBTL1CYP3A4
SCHEMBL11836441 0.80 TDP1 (0.51) TDP1MAPK1MAPTCYP3A4TRPA1

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
EP-2300010-B1 PYRAZINE DERIVATIVES AS EPITHELIAL SODIUM CHANNEL BLOCKERS NOVARTIS AG (CH) 2015-03-04 EP disclosed
US-8236808-B2 Pyrazine derivatives as ENAC blockers NOVARTIS AG (CH) 2012-08-07 US disclosed
US-20110201625-A1 Organic Comopunds NOVARTIS AG (CH) 2011-08-18 US disclosed
EP-2300010-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2011-03-30 EP disclosed
WO-2009150137-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 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-20110201625-A1 Organic Comopunds OR10J3, CFTR, CLIC1 TDP1 3901/4885MAPK1 3731/4885RORC 3024/4885

“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.