SCHEMBL7073363

SCHEMBL7073363

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 3/20 0.47
MAPK10 P53779 1/20 0.47
PDE4A P27815 4/20 0.45
PDE4B Q07343 4/20 0.45
PDE4C Q08493 4/20 0.45
PDE4D Q08499 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
HSP90AA1 P07900 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42

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
SCHEMBL7070278 0.94 MEN1 (0.47) L3MBTL1TSHRMAPK10PDE4APDE4B
SCHEMBL7075811 0.93 L3MBTL1 (0.42) L3MBTL1TSHRMAPK10PDE4APDE4B
SCHEMBL7074910 0.92 TPSAB1 (0.45) L3MBTL1PDE4APDE4BPDE4CPDE4D
SCHEMBL7069834 0.92 PDE4A (0.43) L3MBTL1TSHRMAPK10PDE4APDE4B
SCHEMBL7072276 0.92 NPC1 (0.44) L3MBTL1TSHRMAPK10NPC1RAB9A
SCHEMBL7072621 0.92 PDE4A (0.42) L3MBTL1TSHRMAPK10PDE4APDE4B
SCHEMBL7075803 0.91 TPSAB1 (0.46) L3MBTL1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL7073880 0.91 L3MBTL1 (0.42) L3MBTL1TSHRMAPK10PDE4APDE4B
SCHEMBL7397634 0.91 L3MBTL1 (0.41) L3MBTL1TSHRMAPK10NPC1HPGD
SCHEMBL7068914 0.90 PDE4A (0.42) L3MBTL1PDE4APDE4BPDE4CPDE4D

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 L3MBTL1 4824/4885TSHR 4233/4885MAPK10 3776/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 L3MBTL1 4750/4885TSHR 4214/4885MAPK10 4682/4885

“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.