SCHEMBL7071864

SCHEMBL7071864

COCCCNC(=O)c1ccc2nc(C(C)c3nc4cc(O)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 4/20 0.43
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
TPSAB1 Q15661 4/20 0.39
TPSD1 Q9BZJ3 4/20 0.39
TPSG1 Q9NRR2 4/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.36
GLA P06280 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
SCHEMBL7072182 0.95 ACSS2 (0.42) ACSS2HPGDLMNAALDH1A1NPC1
SCHEMBL7071857 0.90 ACSS2 (0.39) ACSS2HPGDLMNAALDH1A1POLB
SCHEMBL7069834 0.88 PDE4A (0.43) HPGDNPC1RAB9APOLBTPSAB1
SCHEMBL7075729 0.88 HPGD (0.40) ACSS2HPGDLMNAPOLBTPSAB1
SCHEMBL7075109 0.88 ACSS2 (0.40) ACSS2TPSAB1TPSD1TPSG1
SCHEMBL7068181 0.87 TPSAB1 (0.41) ACSS2HPGDLMNANPC1RAB9A
SCHEMBL7070392 0.87 TPSAB1 (0.41) ACSS2HPGDLMNATP53ALDH1A1
SCHEMBL7068373 0.87 TPSAB1 (0.39) ACSS2HPGDLMNANPC1POLB
SCHEMBL7072012 0.86 TPSAB1 (0.40) ACSS2HPGDLMNANPC1RAB9A
SCHEMBL7068114 0.85 TPSAB1 (0.38) ACSS2HPGDLMNAPOLBTPSAB1

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 ACSS2 609/4885HPGD 1524/4885LMNA 2467/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885HPGD 591/4885LMNA 3929/4885

“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.