SCHEMBL5842456

SCHEMBL5842456

c1ccc(-c2cccc3nc(-c4ccc[nH]4)[nH]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
GBA1 P04062 1/20 0.41
ADORA2A P29274 1/20 0.39
RAB9A P51151 7/20 0.39
GAA P10253 1/20 0.39
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HPGD P15428 6/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
LTK P29376 1/20 0.36
KDR P35968 1/20 0.36
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 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
SCHEMBL27761849 0.82 NPC1 (0.56) NPC1ADORA2ARAB9AGAATNKS
Water SCHEMBL28237887 0.81 NPC1 (0.55) NPC1ADORA2ARAB9AGAATNKS
SCHEMBL7146757 0.81 NPC1 (0.55) NPC1ADORA2ARAB9AGAATNKS
SCHEMBL230980 0.80 NPC1 (0.49) NPC1RAB9AGAATNKSPARP1
SCHEMBL30872095 0.80 NPC1 (0.49) NPC1RAB9AGAATNKSPARP1
SCHEMBL1830193 0.78 RAB9A (0.43) NPC1RAB9AGAATNKSPARP1
SCHEMBL5842452 0.77 DHODH (0.45) NPC1GBA1ADORA2ARAB9AGAA
SCHEMBL28136411 0.75 TNKS (0.56) NPC1RAB9AGAATNKSPARP1
SCHEMBL2048080 0.73 NPC1 (0.64) NPC1GBA1ADORA2ARAB9AGAA
SCHEMBL8202622 0.73 MEN1 (0.47) NPC1RAB9AGAATNKSPARP1

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 NPC1 3524/4885GBA1 3466/4885ADORA2A 3435/4885

“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.