SCHEMBL18573282

SCHEMBL18573282

N#Cc1cc(-c2ccccc2)ncc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
XDH P47989 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ESRRB O95718 1/20 0.42

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
SCHEMBL7219026 0.81 GABRG2 (0.50) ALDH1A1NPSR1TDP1KDM4ENPC1
SCHEMBL5827038 0.79 ALDH1A1 (0.54) ALDH1A1NPSR1TDP1KDM4ENPC1
SCHEMBL23702985 0.79 CYP11B1 (0.54) ALDH1A1NPSR1TDP1KDM4ENPC1
SCHEMBL7213782 0.79 NPSR1 (0.53) ALDH1A1NPSR1TDP1KDM4ENPC1
SCHEMBL4072388 0.76 LDHA (0.53) ALDH1A1NPSR1TDP1KDM4ENPC1
SCHEMBL7259682 0.76 NPSR1 (0.54) ALDH1A1NPSR1TDP1KDM4ENPC1
SCHEMBL18573286 0.76 BACE1 (0.60) IDO1TDO2ALDH1A1TDP1NPC1
SCHEMBL18573226 0.75 ALDH1A1 (0.43) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL13312281 0.73 LDHA (0.50) ALDH1A1NPSR1TDP1KDM4ENPC1
SCHEMBL4075302 0.73 KDR (0.45) IDO1TDO2ALDH1A1NPSR1TDP1

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-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-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 IDO1 2783/4885TDO2 2543/4885ALDH1A1 3754/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 IDO1 2752/4885TDO2 2779/4885ALDH1A1 3727/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 IDO1 2783/4885TDO2 2543/4885ALDH1A1 3754/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 IDO1 2783/4885TDO2 2543/4885ALDH1A1 3754/4885

“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.