SCHEMBL272907

SCHEMBL272907

COC(=O)c1cccc2cc(CC(=O)Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.47
PDE4B Q07343 1/20 0.43
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
MAPK9 P45984 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSP90AA1 P07900 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL273388 0.87 AKR1B1 (0.54) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL345117 0.85 DHODH (0.50) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL27592569 0.84 CA12 (0.53) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL275086 0.83 DHODH (0.48) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL344926 0.82 DHODH (0.53) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL273923 0.80 DHODH (0.43) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL345007 0.80 DHODH (0.54) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL343997 0.78 DHODH (0.56) DHODHMAPK8
SCHEMBL23909525 0.78 PTPN1 (0.51) DHODHPDE4BSCN9AALDH1A1HPGD
SCHEMBL30362287 0.78 PTPN1 (0.51) DHODHPDE4BSCN9AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US disclosed
US-8133886-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-03-13 US disclosed
EP-2371822-A1 Heterobicyclic carboxamides as inhibitors for kinases Novartis AG (CH) 2011-10-05 EP disclosed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 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 (2 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS DHODH 2404/4885PDE4B 2295/4885SCN9A 534/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 DHODH 2882/4885PDE4B 2935/4885SCN9A 3053/4885

“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.