SCHEMBL960010

SCHEMBL960010

O=C(c1cccc(Br)n1)c1cccc(Br)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
GRM5 P41594 1/20 0.50
KDM4E B2RXH2 3/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CTSA P10619 1/20 0.40
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
MAPK10 P53779 1/20 0.35
CNR2 P34972 1/20 0.34

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
SCHEMBL13932169 0.98 KDM4E (0.50) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL9828649 0.86 KMT2A (0.53) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL4989 0.84 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL29940784 0.84 KDM4E (0.70) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL24141717 0.82 KDM4E (0.44) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL2825924 0.82 ALDH1A1 (0.49) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL40454 0.82 GRM5 (0.51) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL6744 0.82 GRM5 (0.51) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL30041316 0.82 GRM5 (0.51) ALDH1A1HPGDGRM5KDM4EALOX15
SCHEMBL25307554 0.82 ALDH1A1 (0.49) ALDH1A1HPGDGRM5KDM4EALOX15

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240260448-A1 Metal Complexes UDC IRELAND LIMITED (IE) 2024-08-01 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11393988-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-07-19 US disclosed
US-11005050-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
EP-3424936-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-04-07 EP disclosed
CN-105916868-B Metal complexes 默克专利有限公司 2020-06-23 CN disclosed
EP-3424936-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2019-01-09 EP disclosed
EP-3102650-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-08-29 EP disclosed
EP-2882763-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
US-20180090694-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-03-29 US disclosed
EP-2254896-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2010-12-01 EP disclosed
WO-2009118087-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2009-10-01 WO disclosed
US-20070082284-A1 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070082284-A1 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
US-20070082284-A1 Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-04-12 US disclosed
CN-1894269-A Metal complexes with bipodal ligands MERCK PATENT GMBH (DE) 2007-01-10 CN disclosed
EP-1678190-A1 METAL COMPLEXES WITH BIPODAL LIGANDS Merck Patent GmbH (DE) 2006-07-12 EP disclosed
WO-2005042550-A1 METAL COMPLEXES WITH BIPODAL LIGANDS MERCK PATENT GMBH (DE) 2005-05-12 WO disclosed
US-5861140-A Tripodal paramagnetic contrast agents for MR imaging HOECHST CELANESE CORP. (US) 1999-01-19 US disclosed
US-5861138-A Ligands for MRI contrast agent HOECHST CELANESE CORP. (US) 1999-01-19 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 (5 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-11393988-B2 Metal complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885HPGD 3882/4885GRM5 1139/4885
US-11005050-B2 Metal complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885HPGD 3882/4885GRM5 1139/4885
US-20180090694-A1 METAL COMPLEXES AP3M1, AP2M1, AP1M1 ALDH1A1 2839/4885HPGD 4287/4885GRM5 2135/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 ALDH1A1 1631/4885HPGD 3283/4885GRM5 1939/4885
US-20240260448-A1 Metal Complexes SOD1, AP1M1, AP3M1 ALDH1A1 3721/4885HPGD 3882/4885GRM5 1139/4885

“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.