SCHEMBL812221

SCHEMBL812221

c1ccc2c3cncc-3coc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.40
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
MIF P14174 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
MAOB P27338 5/20 0.37
MAOA P21397 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PTPN1 P18031 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
GRK2 P25098 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
SCHEMBL2490828 0.74 CHRM2 (0.50) MIFCHRM2CHRM4CHRM5CHRM1
SCHEMBL23356548 0.74 MAOB (0.40) MIFCHRM2CHRM4CHRM5CHRM1
SCHEMBL1310425 0.71 PIN1 (0.56) MIFCHRM2CHRM4CHRM5CHRM1
SCHEMBL27700443 0.68 CHRM2 (0.40) CYP11B1CYP11B2CYP17A1CYP19A1MIF
SCHEMBL30492133 0.68 MAOB (0.36) CYP11B1CYP11B2CYP17A1CYP19A1MIF
SCHEMBL3312793 0.68 MAOB (0.36) CYP11B1CYP11B2CYP17A1CYP19A1MIF
SCHEMBL10806364 0.67 PRKCZ (0.69) PRKCZCYP11B1CYP11B2CYP17A1CYP1A2
SCHEMBL11261922 0.67 MIF (0.49) MIFMAOBMAOAPTPN1NISCH
SCHEMBL29888451 0.67 MIF (0.49) MIFMAOBMAOAPTPN1NISCH
SCHEMBL16796316 0.67 GSK3B (0.45) CYP11B1CYP11B2CYP17A1CYP19A1MIF

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-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
WO-2006007586-A1 ORGANOCATALYSTS AND METHODS OF USE IN CHEMICAL SYNTHESIS SCIENCE & TECHNOLOGY CORPORATION @ UNM (US) 2006-01-19 WO 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 (1 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 PRKCZ 4299/4885CYP11B1 89/4885CYP11B2 59/4885

“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.