SCHEMBL7072239

SCHEMBL7072239

COc1ccccc1OCCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
HSP90AA1 P07900 1/20 0.62
PDE4A P27815 4/20 0.62
PDE4B Q07343 4/20 0.62
PDE4C Q08493 4/20 0.62
PDE4D Q08499 4/20 0.62
RAB9A P51151 4/20 0.61
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.52

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
SCHEMBL7068244 0.89 NPC1 (0.57) NPC1HSP90AA1PDE4APDE4BPDE4C
SCHEMBL1581300 0.84 KMT2A (0.70) NPC1HSP90AA1PDE4APDE4BPDE4C
SCHEMBL359110 0.83 PRMT5 (0.60) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL3107502 0.80 PRMT5 (0.56) NPC1RAB9AKMT2AALDH1A1HTT
SCHEMBL3543581 0.80 PRMT5 (0.59) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL358780 0.79 ALDH1A1 (0.50) NPC1HSP90AA1RAB9AKMT2AALDH1A1
SCHEMBL3539503 0.78 PRMT5 (0.66) NPC1RAB9AALDH1A1GAASMN1; SMN2
SCHEMBL309800 0.78 ALDH1A1 (0.53) NPC1RAB9AKMT2AALDH1A1GAA
SCHEMBL16324795 0.76 ALDH1A1 (0.67) NPC1HSP90AA1RAB9AKMT2AALDH1A1
SCHEMBL3549288 0.76 SMN1; SMN2 (0.63) NPC1RAB9AKMT2AALDH1A1GAA

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-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 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 (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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 NPC1 1362/4885HSP90AA1 4559/4885PDE4A 1106/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NPC1 3932/4885HSP90AA1 3815/4885PDE4A 1396/4885

“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.