Sugi Predict

Sugi Predict / Compounds / SCHEMBL7072504

SCHEMBL7072504

SCHEMBL7072504

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCc5c(O)ccc6ccccc56)cc4n3C)nc2C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PDE10A Q9Y233 6/20 0.34
▸ POLB P06746 1/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ACSS2 Q9NR19 1/20 0.33

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
SCHEMBL7074863 0.91 GAA (0.36) GAANPC1RAB9ASMN1; SMN2PDE10A
SCHEMBL7073312 0.90 TRPV1 (0.37) GAAPOLBHDAC1HDAC6DGAT2
SCHEMBL7072285 0.86 SMN1; SMN2 (0.40) SMN1; SMN2HDAC1HDAC6
SCHEMBL7075048 0.84 ACSS2 (0.38) SMN1; SMN2PIK3CDPIK3CAPIK3CBHDAC1
SCHEMBL7073496 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2ATMPOLB
SCHEMBL7068238 0.83 TRPV1 (0.36) GAAPOLBHDAC1HDAC6DGAT2
SCHEMBL7068242 0.83 TRPV1 (0.36) GAAPOLBHDAC1HDAC6DGAT2
SCHEMBL7071920 0.83 MAPT (0.35) GAANPC1RAB9APDE10APOLB
SCHEMBL7075212 0.82 NPC1 (0.43) NPC1RAB9A
SCHEMBL7072576 0.82 GAA (0.37) GAANPC1RAB9ASMN1; SMN2PDE10A

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 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

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.