SCHEMBL17463551

SCHEMBL17463551

Nc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.65
ACHE P22303 1/20 0.64
HPGD P15428 6/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 4/20 0.61
KDM4E B2RXH2 4/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
GMNN O75496 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
PKM P14618 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL4594838 0.91 ACACA (0.75) ACACAACHEHPGDMEN1KMT2A
SCHEMBL4607752 0.89 ACACA (0.73) ACACAACHEHPGDMEN1KMT2A
SCHEMBL29399315 0.89 ACACA (0.72) ACACAACHEHPGDMEN1KMT2A
SCHEMBL1042853 0.89 ACACA (0.72) ACACAACHEHPGDMEN1KMT2A
SCHEMBL16990162 0.87 ACACA (0.70) ACACAACHEHPGDMEN1KMT2A
SCHEMBL21667537 0.84 ACACA (0.67) ACACAACHEHPGDMEN1KMT2A
SCHEMBL19794400 0.84 ACACA (0.67) ACACAACHEHPGDMEN1KMT2A
SCHEMBL669466 0.83 ACACA (0.65) ACACAACHEHPGDMEN1KMT2A
SCHEMBL5222126 0.83 ACACA (0.64) ACACAACHEHPGDALDH1A1MAPT
SCHEMBL15618040 0.83 ACACA (0.69) ACACAACHEHPGDMEN1KMT2A

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-2017032439-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-03-02 WO disclosed
WO-2016013875-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-28 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 ACACA 1620/4885ACHE 2482/4885HPGD 3834/4885
US-11031562-B2 Metal complexes AP1M1, SOD1, AP3M1 ACACA 1506/4885ACHE 2341/4885HPGD 4076/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 ACACA 1620/4885ACHE 2482/4885HPGD 3834/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ACACA 1620/4885ACHE 2482/4885HPGD 3834/4885

“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.