SCHEMBL7074547

SCHEMBL7074547

CC(C)CCNC(=O)c1ccc2nc(C(C)c3nc4cc(-n5ccnc5)ccc4[nH]3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
F9 P00740 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 2/20 0.37
BRD4 O60885 2/20 0.37
NAMPT P43490 1/20 0.36
ACSS2 Q9NR19 2/20 0.36
BCHE P06276 1/20 0.36
CNR2 P34972 1/20 0.36
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 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
SCHEMBL7069807 0.92 HPGD (0.40) HTTF9MEN1HPGDKMT2A
SCHEMBL7067809 0.92 F9 (0.38) HTTF9BRD4ACSS2
SCHEMBL7072267 0.89 F9 (0.37) F9BRD4NAMPTACSS2DRD3
SCHEMBL7073168 0.88 NPC1 (0.41) F9NAMPTACSS2DRD3DRD2
SCHEMBL7074504 0.88 PLG (0.33) HTTF9BRD4
SCHEMBL7072273 0.87 ADRB2 (0.40) F9TP53ACSS2DRD3DRD2
SCHEMBL7068233 0.86 DRD2 (0.43) HPGDTP53NAMPTDRD3DRD2
SCHEMBL7070332 0.85 DRD2 (0.38) F9HPGDNAMPTACSS2DRD3
SCHEMBL7068172 0.84 ACSS2 (0.41) F9ALDH1A1MEN1HPGDKMT2A
SCHEMBL7072628 0.84 ADRB2 (0.37) F9HPGDBRD4NAMPTACSS2

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 HTT 1862/4885F9 2202/4885ALDH1A1 1860/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 HTT 3694/4885F9 3853/4885ALDH1A1 729/4885

“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.