SCHEMBL3285782

SCHEMBL3285782

COc1ccc2c(c1)CC(=O)N2.c1ccc2cccc-2cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
ALDH1A1 P00352 1/20 0.59
PDE3B Q13370 2/20 0.56
PDE3A Q14432 2/20 0.56
SRC P12931 1/20 0.55
GRIA1 P42261 3/20 0.54
CACNG8 Q8WXS5 2/20 0.54
PGR P06401 2/20 0.54
GAA P10253 2/20 0.51
INSR P06213 1/20 0.51
KDR P35968 1/20 0.51
PLK1 P53350 1/20 0.51
MAOB P27338 3/20 0.49
MAOA P21397 1/20 0.49
AHR P35869 2/20 0.49
PDK2 Q15119 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48

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
SCHEMBL20214 0.91 PDE3B (0.66) NPC1ALDH1A1PDE3BPDE3ASRC
SCHEMBL31040124 0.91 PDE3B (0.66) NPC1ALDH1A1PDE3BPDE3ASRC
SCHEMBL155069 0.83 PDE3B (0.62) PDE3BPDE3ASRCGRIA1CACNG8
Trifluoroacetic Acid SCHEMBL29921460 0.82 PDE3B (0.52) NPC1ALDH1A1PDE3BPDE3ASRC
SCHEMBL11089929 0.80 EIF2AK2 (0.63) PDE3BPDE3AGRIA1CACNG8PGR
SCHEMBL3132725 0.79 PGR (0.73) PDE3BPDE3AGRIA1CACNG8PGR
SCHEMBL4406856 0.78 CRBN (0.57) NPC1ALDH1A1PDE3BPDE3ASRC
SCHEMBL1897771 0.78 TDP2 (0.75) ALDH1A1PDE3BPDE3ASRCGRIA1
SCHEMBL153506 0.78 EIF2AK2 (0.74) NPC1ALDH1A1PDE3BPDE3ASRC
SCHEMBL11534726 0.76 MAPT (0.53) ALDH1A1PDE3BPDE3ASRCGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918277-B1 Azulene compounds IND TECH RES INST (TW) 2015-06-10 EP disclosed
US-7714146-B2 Azulene-oxindole compounds as multiple-kinase inhibitors and useful as anticancer agents INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-05-11 US disclosed
US-20080125590-A1 Azulene compounds INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-05-29 US disclosed
EP-1918277-A2 Azulene compounds Industrial Technology Research Institute (TW) 2008-05-07 EP 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-20080125590-A1 Azulene compounds AZI2, PRMT5, BRCA1 NPC1 1869/4885ALDH1A1 421/4885PDE3B 893/4885

“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.