SCHEMBL18573232

SCHEMBL18573232

Oc1cnc2c(ccc3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
NQO2 P16083 1/20 0.44
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
HIF1A Q16665 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL686920 0.81 CCR1 (0.52) ALDH1A1CYP1A2KDM4EHSD17B10TSHR
SCHEMBL30570886 0.81 CCR1 (0.52) ALDH1A1CYP1A2KDM4EHSD17B10TSHR
Bromide SCHEMBL5550525 0.79 CCR1 (0.50) ALDH1A1CYP1A2KDM4EHSD17B10TSHR
SCHEMBL170352 0.79 LMNA (0.61) ALDH1A1KDM4EHSD17B10TDP1HIF1A
SCHEMBL18573233 0.78 ALDH1A1 (0.45) ALDH1A1NQO2CYP1A2KDM4ETDP1
SCHEMBL170057 0.77 CCR1 (0.62) ALDH1A1KDM4EHSD17B10TSHRTDP1
Phenanthroline SCHEMBL10380787 0.77 CCR1 (0.62) ALDH1A1KDM4EHSD17B10TSHRTDP1
SCHEMBL24581695 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2KDM4EHSD17B10CYP2A6
SCHEMBL17742247 0.77 PARP1 (0.46) ALDH1A1CYP1A2HSD17B10CYP2A6TSHR
SCHEMBL9041309 0.77 CCR1 (0.67) ALDH1A1CYP1A2KDM4EHSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240052219-A1 ANAEROBICALLY CURABLE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2024-02-15 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11031562-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 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 (4 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3754/4885NQO2 2755/4885CYP1A2 3726/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3727/4885NQO2 2957/4885CYP1A2 3622/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 ALDH1A1 3754/4885NQO2 2755/4885CYP1A2 3726/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ALDH1A1 3754/4885NQO2 2755/4885CYP1A2 3726/4885

“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.