SCHEMBL18573286

SCHEMBL18573286

Oc1cnc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.60
IDO1 P14902 2/20 0.56
TDO2 P48775 2/20 0.56
DYRK1A Q13627 1/20 0.50
LDHA P00338 2/20 0.47
ALOX5 P09917 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
BCL2L1 Q07817 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 2/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SMARCA2 P51531 2/20 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
SCHEMBL15647340 0.83 PIM1 (0.50) BACE1IDO1TDO2DYRK1ALDHA
SCHEMBL5653453 0.80 NPC1 (0.50) IDO1TDO2DYRK1ALDHANPC1
SCHEMBL29106079 0.77 LDHA (0.63) IDO1TDO2LDHAHPGDALDH1A1
SCHEMBL1754202 0.77 BACE1 (1.00) BACE1ALOX5HPGDALDH1A1BCL2L1
SCHEMBL15646569 0.76 MAPT (0.43) IDO1TDO2LDHAALDH1A1NPC1
SCHEMBL18573282 0.76 IDO1 (0.49) IDO1TDO2LDHAHPGDALDH1A1
SCHEMBL21202845 0.75 NPC1 (0.46) IDO1TDO2DYRK1ALDHANPC1
SCHEMBL30480541 0.75 LDHA (0.56) IDO1TDO2DYRK1ALDHAALDH1A1
SCHEMBL13299607 0.75 LDHA (0.56) IDO1TDO2DYRK1ALDHAALDH1A1
SCHEMBL19781098 0.75 MAPK1 (0.46) IDO1TDO2DYRK1ALDHAALDH1A1

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-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-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 WO 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 BACE1 2970/4885IDO1 2783/4885TDO2 2543/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 BACE1 2646/4885IDO1 2752/4885TDO2 2779/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 BACE1 2970/4885IDO1 2783/4885TDO2 2543/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 BACE1 2970/4885IDO1 2783/4885TDO2 2543/4885

“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.