SCHEMBL5865085

SCHEMBL5865085

CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)c2ncccc2c1I

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
PTGER1 P34995 1/20 0.43
PPIA P62937 13/20 0.43
SLC40A1 Q9NP59 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL5357518 0.87 CYP2C9 (0.45) CYP2C9PTGER1PPIABRD4
SCHEMBL29424444 0.87 CYP2C9 (0.45) CYP2C9PTGER1PPIABRD4
SCHEMBL6627247 0.84 PPIA (0.41) CYP2C9PTGER1PPIASMN1; SMN2AURKA
SCHEMBL16521346 0.81 TDP1 (0.44) CYP2C9PTGER1PPIASMN1; SMN2AURKA
SCHEMBL6204547 0.79 KDM4E (0.48) CYP2C9PTGER1SMN1; SMN2BRD4
SCHEMBL5865089 0.78 HSP90AA1 (0.46) CYP2C9PTGER1PPIASMN1; SMN2
SCHEMBL22304234 0.78 CYP2C9 (0.44) CYP2C9PTGER1BRD4
SCHEMBL8190988 0.78 PPIA (0.42) CYP2C9PTGER1PPIABRD4
SCHEMBL15014407 0.78 CYP2C9 (0.48) CYP2C9PTGER1SMN1; SMN2BRD4
SCHEMBL6279532 0.76 BRD4 (0.48) CYP2C9PTGER1SLC40A1BRD4

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 CYP2C9 689/4885PTGER1 2159/4885PPIA 301/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX CYP2C9 536/4885PTGER1 1944/4885PPIA 404/4885

“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.