SCHEMBL7067705

SCHEMBL7067705

CC(=N)N1CCc2[nH]c(C(C)c3nc4ccc(C(=O)NCCOc5cccc(-c6nnn[nH]6)c5)cc4n3C)nc2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.36
NPC1 O15118 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TPSAB1 Q15661 3/20 0.34
TPSD1 Q9BZJ3 3/20 0.34
TPSG1 Q9NRR2 3/20 0.34
NR1H4 Q96RI1 4/20 0.32
PLG P00747 4/20 0.31
DRD3 P35462 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL7069828 0.93 TPSAB1 (0.37) F10NPC1HDAC6TPSAB1TPSD1
SCHEMBL7069756 0.89 TPSAB1 (0.34) NPC1TPSAB1TPSD1TPSG1NR1H4
SCHEMBL7072446 0.84 LMNA (0.41) NPC1TPSAB1TPSD1TPSG1POLB
SCHEMBL7068659 0.82 NPC1 (0.36) F10NPC1TPSAB1TPSD1TPSG1
SCHEMBL7073159 0.81 TP53 (0.36) PLG
SCHEMBL7069832 0.81 TPSAB1 (0.34) NPC1TPSAB1TPSD1TPSG1DRD3
SCHEMBL7071905 0.80 TPSAB1 (0.33) NPC1TPSAB1TPSD1TPSG1NR1H4
SCHEMBL7075194 0.79 ACSS2 (0.36) POLB
SCHEMBL7067706 0.79 TPSAB1 (0.34) NPC1TPSAB1TPSD1TPSG1DRD3
SCHEMBL7068430 0.78 NPC1 (0.35) NPC1TPSAB1TPSD1TPSG1NR1H4

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 1801/4885NPC1 1362/4885HDAC6 379/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 F10 3661/4885NPC1 3932/4885HDAC6 709/4885

“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.