SCHEMBL7071990

SCHEMBL7071990

CC(=N)N1CCc2[nH]c(Cc3nc4ccc(C(=O)NCCOc5cccc(Cl)c5)cc4n3C)nc2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.40
F10 P00742 2/20 0.39
NPC1 O15118 1/20 0.38
KLKB1 P03952 7/20 0.37
TPSAB1 Q15661 3/20 0.36
TPSD1 Q9BZJ3 3/20 0.36
TPSG1 Q9NRR2 3/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL7073893 0.93 F10 (0.39) PPARGF10NPC1TPSAB1TPSD1
SCHEMBL7073496 0.93 NPC1 (0.46) F10NPC1TPSAB1TPSD1TPSG1
SCHEMBL7072326 0.89 TPSAB1 (0.41) F10NPC1TPSAB1TPSD1TPSG1
SCHEMBL7072153 0.89 RAB9A (0.37) NPC1TPSAB1TPSD1TPSG1KMT2A
SCHEMBL7075212 0.87 NPC1 (0.43) NPC1TPSAB1TPSD1TPSG1
SCHEMBL7073312 0.82 TRPV1 (0.37)
SCHEMBL7072576 0.82 GAA (0.37) NPC1KMT2A
SCHEMBL7072285 0.81 SMN1; SMN2 (0.40) THRB
SCHEMBL7073158 0.80 NAMPT (0.39)
SCHEMBL7075741 0.80 TGM2 (0.38) NPC1KMT2A

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