SCHEMBL7072276

SCHEMBL7072276

Cc1ccccc1OCCNC(=O)c1ccc2nc(C(C)c3nc4ccccc4[nH]3)n(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TPSAB1 Q15661 3/20 0.42
TPSD1 Q9BZJ3 3/20 0.42
TPSG1 Q9NRR2 3/20 0.42
ACSS2 Q9NR19 3/20 0.40
TSHR P16473 1/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 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
SCHEMBL7070278 0.92 MEN1 (0.47) SMN1; SMN2MAPTKMT2AL3MBTL1TPSAB1
SCHEMBL7073363 0.92 L3MBTL1 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1TPSAB1
SCHEMBL7075803 0.91 TPSAB1 (0.46) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL7075811 0.91 L3MBTL1 (0.42) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL7397634 0.91 L3MBTL1 (0.41) NPC1KMT2AL3MBTL1TPSAB1TPSD1
SCHEMBL7071980 0.90 TPSAB1 (0.39) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7069754 0.90 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7072592 0.89 CTSS (0.44) NPC1SMN1; SMN2KMT2AL3MBTL1TPSAB1
SCHEMBL7073880 0.89 L3MBTL1 (0.42) MAPTL3MBTL1TPSAB1TPSD1TPSG1
SCHEMBL7075305 0.89 TPSAB1 (0.40) NPC1MAPTL3MBTL1TPSAB1TPSD1

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 NPC1 1362/4885RAB9A 791/4885SMN1; SMN2 1710/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NPC1 3932/4885RAB9A 1714/4885SMN1; SMN2 3509/4885

“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.