SCHEMBL5864982

SCHEMBL5864982

COc1ccc2[nH]c(C(=O)N3CC(CCl)c4c3cc(O)c3ncccc43)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
HRH4 Q9H3N8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
IDO1 P14902 1/20 0.42
ADH1A P07327 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
ABL2 P42684 1/20 0.42
AKR1C3 P42330 1/20 0.42
FPR2 P25090 6/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 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
SCHEMBL6517364 0.90 ADH1A (0.53) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL6517359 0.90 ADH1A (0.53) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL6390745 0.89 PDGFRB (0.47) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL5864896 0.88 FLT3 (0.48) DRD2DRD3MEN1KMT2AKDM4E
SCHEMBL2399027 0.85 MEN1 (0.49) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL7672527 0.84 MEN1 (0.47) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL6204595 0.84 MEN1 (0.47) DRD2DRD3HRH4MEN1KMT2A
SCHEMBL6514946 0.83 ADH1A (0.52) DRD2DRD3MEN1KMT2AKDM4E
SCHEMBL6514942 0.83 ADH1A (0.52) DRD2DRD3MEN1KMT2AKDM4E
SCHEMBL5865145 0.83 P4HB (0.51) KDM4EADH1AKITFLT1FLT4

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 DRD2 2758/4885DRD3 2732/4885HRH4 595/4885
US-20050038249-A1 Anti-cancer 2,3-dihydro-1H-pyrrole[3,2-f] quinoline compolexes of cobalt and chromium CA2, HIF1AN, PPOX DRD2 2776/4885DRD3 2913/4885HRH4 1003/4885

“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.