SCHEMBL7073168

SCHEMBL7073168

CC(c1nc2cc(-n3ccnc3)ccc2[nH]1)c1nc2ccc(C(=O)NCCOc3ccccc3)cc2n1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
TPSAB1 Q15661 3/20 0.40
TPSD1 Q9BZJ3 3/20 0.40
TPSG1 Q9NRR2 3/20 0.40
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
NAMPT P43490 2/20 0.38
ACSS2 Q9NR19 1/20 0.38
F9 P00740 1/20 0.37
NR1H4 Q96RI1 3/20 0.37
RAB9A P51151 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 0.92 HPGD (0.40) MAPK1DRD2DRD3ADRB2ADRB1
SCHEMBL7070332 0.91 DRD2 (0.38) TPSAB1TPSD1TPSG1DRD2DRD3
SCHEMBL7068233 0.91 DRD2 (0.43) NPC1DRD2DRD3ADRB2ADRB1
SCHEMBL7069733 0.88 DRD2 (0.37) NPC1MAPK1TPSAB1TPSD1TPSG1
SCHEMBL7074547 0.88 HTT (0.40) DRD2DRD3ADRB2ADRB1ADRB3
SCHEMBL7071895 0.87 DRD3 (0.38) MAPK1TPSAB1TPSD1TPSG1DRD2
SCHEMBL7072628 0.87 ADRB2 (0.37) TPSAB1TPSD1TPSG1DRD2DRD3
SCHEMBL7067809 0.87 F9 (0.38) ACSS2F9
SCHEMBL7074791 0.86 MAPT (0.36) TPSAB1TPSD1TPSG1DRD2DRD3
SCHEMBL7072070 0.86 DRD2 (0.36) NPC1MAPK1TPSAB1TPSD1TPSG1

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 NPC1 1362/4885MAPK1 3634/4885TPSAB1 5/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 NPC1 3932/4885MAPK1 4479/4885TPSAB1 5/4885

“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.