SCHEMBL7074863

SCHEMBL7074863

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCc5ccc(O)c6ccccc56)cc4n3C)nc2C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.34
MAPT P10636 4/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ACSS2 Q9NR19 1/20 0.33
NAMPT P43490 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE10A Q9Y233 2/20 0.32
DGAT2 Q96PD7 1/20 0.32

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
SCHEMBL7073312 0.93 TRPV1 (0.37) GAAPOLBMAPTTP53LMNA
SCHEMBL7072504 0.91 GAA (0.38) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL7068242 0.85 TRPV1 (0.36) GAAPOLBMAPTTP53LMNA
SCHEMBL7068238 0.85 TRPV1 (0.36) GAAPOLBMAPTTP53LMNA
SCHEMBL7075741 0.84 TGM2 (0.38) GAANPC1RAB9ASMN1; SMN2POLB
SCHEMBL7073496 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLBTP53
SCHEMBL7071876 0.83 TRPV1 (0.37) GAAPOLBMAPTTP53LMNA
SCHEMBL7072285 0.83 SMN1; SMN2 (0.40) SMN1; SMN2MAPTTP53LMNA
SCHEMBL7071920 0.83 MAPT (0.35) GAANPC1RAB9APOLBMAPT
SCHEMBL7075212 0.82 NPC1 (0.43) NPC1RAB9AMAPT

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 7 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 claimed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US claimed
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 GAA 69/4885NPC1 1362/4885RAB9A 791/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 GAA 181/4885NPC1 3932/4885RAB9A 1714/4885

“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.