SCHEMBL7068172

SCHEMBL7068172

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 2/20 0.41
F9 P00740 1/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RIPK2 O43353 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 5/20 0.37
DRD2 P14416 4/20 0.37
PTGER4 P35408 1/20 0.37

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 0.93 HPGD (0.40) ACSS2F9HPGDSMN1; SMN2ADRB2
SCHEMBL7074538 0.90 ACSS2 (0.40) ACSS2F9HPGDRIPK2ADRB2
SCHEMBL7071842 0.85 DRD3 (0.42) HPGDALDH1A1ADRB2ADRB1ADRB3
SCHEMBL7073168 0.84 NPC1 (0.41) ACSS2F9ADRB2ADRB1ADRB3
SCHEMBL7074547 0.84 HTT (0.40) ACSS2F9HPGDALDH1A1ADRB2
SCHEMBL7068233 0.84 DRD2 (0.43) HPGDADRB2ADRB1ADRB3DRD3
SCHEMBL7067809 0.83 F9 (0.38) ACSS2F9TDP1
SCHEMBL7070091 0.83 DRD3 (0.37) ACSS2F9HPGDADRB2ADRB1
SCHEMBL7074837 0.82 ACSS2 (0.39) ACSS2F9HPGDADRB2ADRB1
SCHEMBL7071895 0.82 DRD3 (0.38) F9HPGDADRB2ADRB1ADRB3

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 ACSS2 609/4885F9 2202/4885HPGD 1524/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 ACSS2 746/4885F9 3853/4885HPGD 591/4885

“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.