SCHEMBL7068898

SCHEMBL7068898

COc1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4ccccc4[nH]3)n(CCCS(=O)(=O)O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.43
MAPK10 P53779 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
PDE4A P27815 3/20 0.41
PDE4B Q07343 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
HSP90AA1 P07900 1/20 0.40
ACSS2 Q9NR19 2/20 0.39
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7073509 0.90 PDE4A (0.38) L3MBTL1POLBTSHRMAPK10LMNA
SCHEMBL7071842 0.88 DRD3 (0.42) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7073363 0.88 L3MBTL1 (0.50) L3MBTL1TSHRMAPK10LMNAKDM4E
SCHEMBL7069822 0.83 ACSS2 (0.34) POLBPDE4APDE4BPDE4CPDE4D
SCHEMBL7070278 0.82 MEN1 (0.47) L3MBTL1POLBTSHRMAPK10LMNA
SCHEMBL7075811 0.81 L3MBTL1 (0.42) L3MBTL1POLBTSHRMAPK10LMNA
SCHEMBL7070091 0.81 DRD3 (0.37) ACSS2HPGD
SCHEMBL7069834 0.81 PDE4A (0.43) L3MBTL1POLBTSHRMAPK10KDM4E
SCHEMBL7074910 0.81 TPSAB1 (0.45) L3MBTL1KDM4EATMPDE4APDE4B
SCHEMBL7073880 0.81 L3MBTL1 (0.42) L3MBTL1POLBTSHRMAPK10LMNA

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 L3MBTL1 4824/4885POLB 2637/4885TSHR 4233/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 L3MBTL1 4750/4885POLB 2297/4885TSHR 4214/4885

“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.