SCHEMBL5842452

SCHEMBL5842452

c1ccc(-c2cccc3[nH]c(-c4ccc[nH]4)nc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.45
PARP1 P09874 2/20 0.43
CNR2 P34972 6/20 0.42
NPC1 O15118 2/20 0.41
GBA1 P04062 1/20 0.41
PDE10A Q9Y233 1/20 0.41
GAA P10253 4/20 0.40
MGAM O43451 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
ESR1 P03372 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
DYRK1A Q13627 1/20 0.39
ADORA2A P29274 1/20 0.39
RAB9A P51151 1/20 0.39
CNR1 P21554 1/20 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
SCHEMBL1170898 0.84 DHODH (0.54) DHODHPARP1CNR2NPC1PDE10A
SCHEMBL31027957 0.82 DHODH (0.59) DHODHPARP1CNR2NPC1PDE10A
SCHEMBL7146754 0.81 DHODH (0.62) DHODHPARP1CNR2NPC1PDE10A
SCHEMBL4457030 0.80 DHODH (0.53) DHODHPARP1CNR2NPC1PDE10A
SCHEMBL230979 0.80 DHODH (0.53) DHODHPARP1CNR2NPC1PDE10A
SCHEMBL1830191 0.78 DHODH (0.51) DHODHPARP1CNR2PDE10AGAA
SCHEMBL5842456 0.77 NPC1 (0.41) PARP1NPC1GBA1GAAADORA2A
SCHEMBL8816910 0.76 MGAM (0.60) DHODHNPC1PDE10AGAAMGAM
SCHEMBL8818813 0.76 MGAM (0.68) DHODHPARP1CNR2NPC1GAA
SCHEMBL5051916 0.76 MGAM (0.56) DHODHPARP1GAAMGAMSI

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-7056918-B2 Benzimidazole anti-inflammatory compounds PFIZER, INC. (US) 2006-06-06 US disclosed
EP-1370557-B1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2005-11-16 EP disclosed
EP-1370557-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS Pfizer Products Inc. (US) 2003-12-17 EP disclosed
US-20030092749-A1 Novel benzimidazole anti-inflammatory compounds PFIZER INC. 2003-05-15 US disclosed
WO-2002072576-A1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-09-19 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-20030092749-A1 Novel benzimidazole anti-inflammatory compounds MAPK1, JAK1, CNKSR1 DHODH 4018/4885PARP1 1452/4885CNR2 404/4885

“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.