SCHEMBL7072569

SCHEMBL7072569

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NC(C)n5cnc6ccccc65)cc4n3C)nc2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 1/20 0.34
GAA P10253 2/20 0.32
ACSS2 Q9NR19 9/20 0.32
MLLT1 Q03111 1/20 0.31
PLG P00747 2/20 0.31
PDE10A Q9Y233 1/20 0.31
RPS6KA3 P51812 1/20 0.31

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
SCHEMBL7072576 0.86 GAA (0.37) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL7073496 0.80 NPC1 (0.46) NPC1TP53RAB9ASMN1; SMN2PIK3CD
SCHEMBL7072285 0.79 SMN1; SMN2 (0.40) TP53SMN1; SMN2
SCHEMBL7075212 0.79 NPC1 (0.43) NPC1RAB9A
SCHEMBL7075048 0.79 ACSS2 (0.38) SMN1; SMN2PIK3CDPIK3CAPIK3CBACSS2
SCHEMBL7073312 0.78 TRPV1 (0.37) TP53GAAACSS2
SCHEMBL7072153 0.78 RAB9A (0.37) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL7072326 0.77 TPSAB1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7072504 0.77 GAA (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2PIK3CD
SCHEMBL7074863 0.77 GAA (0.36) NPC1ALDH1A1TP53RAB9ASMN1; SMN2

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 3 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

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 1362/4885ALDH1A1 1860/4885TP53 3162/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NPC1 3932/4885ALDH1A1 729/4885TP53 2387/4885

“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.