SCHEMBL5865145

SCHEMBL5865145

COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(O)c3ncccc43)[nH]c2c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.51
HSP90AA1 P07900 1/20 0.51
ADH1A P07327 1/20 0.40
KIT P10721 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
ABL2 P42684 1/20 0.40
LMNA P02545 5/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 8/20 0.39
POLB P06746 3/20 0.39
RAB9A P51151 1/20 0.35
TP53 P04637 7/20 0.35
CFD P00746 3/20 0.33
MITF O75030 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL5865206 0.92 P4HB (0.48) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL13822019 0.90 P4HB (0.55) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL12596987 0.90 P4HB (0.55) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL29363258 0.90 P4HB (0.55) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL29890391 0.90 P4HB (0.55) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL31238398 0.90 P4HB (0.55) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL5865127 0.89 P4HB (0.47) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL5865218 0.88 P4HB (0.45) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL12596879 0.86 P4HB (0.54) P4HBHSP90AA1ADH1AKITFLT1
SCHEMBL22512607 0.86 P4HB (0.54) P4HBHSP90AA1ADH1AKITFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2005-02-17 US claimed
US-20040138195-A1 Anti-cancer 2,3-dihydro-1h-pyrrolo[3,2-f[quinoline complexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2004-07-15 US claimed
US-7064117-B2 Anti-cancer 2,3-dihydro-1H-pyrrolo[3,2-f]quinoline complexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2006-06-20 US disclosed
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2005-02-17 US disclosed
US-20040138195-A1 Anti-cancer 2,3-dihydro-1h-pyrrolo[3,2-f[quinoline complexes of cobalt and chromium AUCKLAND UNISERVICES LIMITED (NZ) 2004-07-15 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-20040138195-A1 Anti-cancer 2,3-dihydro-1h-pyrrolo[3,2-f[quinoline complexes of cobalt and chromium IDH1, HIF1AN, CA2 P4HB 1703/4885HSP90AA1 3362/4885ADH1A 1138/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX P4HB 2063/4885HSP90AA1 3153/4885ADH1A 1323/4885

“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.