SCHEMBL5865429

SCHEMBL5865429

O=[N+]([O-])c1cc(OCc2ccccc2)c2ncccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
NPC1 O15118 2/20 0.65
ALDH1A1 P00352 2/20 0.61
LMNA P02545 1/20 0.61
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
CASP6 P55212 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP19A1 P11511 6/20 0.55
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 2/20 0.55
PPIA P62937 2/20 0.49

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
SCHEMBL6628248 0.81 MAPT (0.50) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL5732599 0.81 MAPT (0.53) MAPTMEN1KMT2ANPC1LMNA
SCHEMBL5865168 0.80 MAPT (0.62) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL9447009 0.80 KMT2A (0.77) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL1083102 0.79 MEN1 (1.00) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL29363229 0.78 MEN1 (0.64) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL9388459 0.78 MEN1 (0.58) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL5322748 0.77 HSP90AA1 (0.59) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL14909268 0.77 NPC1 (0.51) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL5865023 0.77 LTA4H (0.56) MAPTMEN1KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1363908-A4 ANTI-CANCER 2,3-DIHYDRO-1H-PYRROLO 3,2-f]QUINOLINE COMPLEXES OF COBALT AND CHROMIUM AUCKLAND UNISERVICES LTD (NZ) 2004-05-06 EP disclosed
EP-1363908-A1 ANTI-CANCER 2,3-DIHYDRO-1H-PYRROLO 3,2-f]QUINOLINE COMPLEXES OF COBALT AND CHROMIUM Auckland Uniservices Limited (NZ) 2003-11-26 EP disclosed
WO-2002059122-A1 ANTI-CANCER 2,3-DIHYDRO-1H-PYRROLO[3,2-f]QUINOLINE COMPLEXES OF COBALT AND CHROMIUM AUCKLAND UNISERVICES LIMITED (NZ) 2002-08-01 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 (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 MAPT 4825/4885MEN1 1656/4885KMT2A 842/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX MAPT 4817/4885MEN1 1459/4885KMT2A 884/4885

“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.