SCHEMBL7072446

SCHEMBL7072446

COCCCNC(=O)c1ccc2nc(C(C)c3nc4c([nH]3)CCN(C(C)=N)C4)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
ACSS2 Q9NR19 2/20 0.39
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.35
NAMPT P43490 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

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
SCHEMBL7073159 0.90 TP53 (0.36) TP53ACSS2
SCHEMBL7068659 0.87 NPC1 (0.36) ACSS2RAB9ANPC1TPSAB1TPSD1
SCHEMBL7075194 0.85 ACSS2 (0.36) LMNATP53ACSS2POLBALDH1A1
SCHEMBL7071905 0.85 TPSAB1 (0.33) LMNAACSS2POLBALDH1A1RAB9A
SCHEMBL7069828 0.85 TPSAB1 (0.37) NPC1TPSAB1TPSD1TPSG1
SCHEMBL7069756 0.84 TPSAB1 (0.34) ACSS2RAB9ANPC1TPSAB1TPSD1
SCHEMBL7067706 0.84 TPSAB1 (0.34) ACSS2HPGDRAB9ANPC1TPSAB1
SCHEMBL7069832 0.84 TPSAB1 (0.34) HPGDRAB9ANPC1TPSAB1TPSD1
SCHEMBL7067705 0.84 F10 (0.36) POLBNPC1TPSAB1TPSD1TPSG1
SCHEMBL7122845 0.83 GRN (0.37)

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 LMNA 2467/4885TP53 3162/4885ACSS2 609/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 LMNA 3929/4885TP53 2387/4885ACSS2 746/4885

“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.