SCHEMBL7073893

SCHEMBL7073893

COc1cccc(OCCNC(=O)c2ccc3nc(Cc4nc5c([nH]4)CCN(C(C)=N)C5)n(C)c3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.39
PPARG P37231 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TPSAB1 Q15661 3/20 0.37
TPSD1 Q9BZJ3 3/20 0.37
TPSG1 Q9NRR2 3/20 0.37
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
NAMPT P43490 1/20 0.35
DRD3 P35462 3/20 0.35
DRD2 P14416 2/20 0.35

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
SCHEMBL7072326 0.94 TPSAB1 (0.41) F10NPC1ALDH1A1MEN1KMT2A
SCHEMBL7073496 0.93 NPC1 (0.46) F10NPC1TPSAB1TPSD1TPSG1
SCHEMBL7071990 0.93 PPARG (0.40) F10PPARGNPC1KMT2ATPSAB1
SCHEMBL7075212 0.91 NPC1 (0.43) NPC1TPSAB1TPSD1TPSG1RAB9A
SCHEMBL7072153 0.87 RAB9A (0.37) NPC1ALDH1A1MEN1KMT2ATPSAB1
SCHEMBL7073312 0.83 TRPV1 (0.37) MTNR1AMTNR1B
SCHEMBL7072576 0.82 GAA (0.37) NPC1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL7072285 0.81 SMN1; SMN2 (0.40)
SCHEMBL7073158 0.81 NAMPT (0.39) NAMPT
SCHEMBL7075741 0.80 TGM2 (0.38) NPC1ALDH1A1KMT2AMTNR1ARAB9A

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 F10 1801/4885PPARG 3725/4885NPC1 1362/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 F10 3661/4885PPARG 1905/4885NPC1 3932/4885

“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.