SCHEMBL5865089

SCHEMBL5865089

CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)c2ncccc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
MAPT P10636 3/20 0.46
CYP2C9 P11712 1/20 0.45
PTGER1 P34995 1/20 0.45
PPIA P62937 10/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL6649542 0.85 CYP2C9 (0.43) CYP2C9PTGER1NPC1RAB9ASMN1; SMN2
SCHEMBL13007025 0.84 TOP2A (0.50) MAPTCYP2C9PTGER1NPC1RAB9A
SCHEMBL6651360 0.83 PPIA (0.43) MAPTCYP2C9PTGER1PPIANPC1
SCHEMBL16521347 0.80 CYP2C9 (0.44) MAPTCYP2C9PTGER1NPC1L3MBTL1
SCHEMBL5865350 0.78 NAMPT (0.44) HSP90AA1NPC1L3MBTL1RAB9AKDM4E
SCHEMBL5865085 0.78 CYP2C9 (0.43) CYP2C9PTGER1PPIASMN1; SMN2
SCHEMBL30985775 0.78 TOP2A (0.44) CYP2C9PTGER1PPIANPC1RAB9A
SCHEMBL23970799 0.78 CYP2C9 (0.50) CYP2C9PTGER1PPIANPC1RAB9A
SCHEMBL30159014 0.78 CYP2C9 (0.50) CYP2C9PTGER1PPIANPC1RAB9A
SCHEMBL5235275 0.78 BCHE (0.50) MAPTCYP2C9PTGER1NPC1RAB9A

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 HSP90AA1 3362/4885MAPT 4825/4885CYP2C9 689/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX HSP90AA1 3153/4885MAPT 4817/4885CYP2C9 536/4885

“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.