SCHEMBL1974243

SCHEMBL1974243

CC(NC(=O)c1ccccc1Br)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.73
POLB P06746 1/20 0.73
ALDH1A1 P00352 11/20 0.72
LMNA P02545 4/20 0.69
HPGD P15428 4/20 0.69
KDM4E B2RXH2 3/20 0.69
HSD17B10 Q99714 3/20 0.69
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C19 P33261 1/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.58
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.55

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
SCHEMBL17354454 0.85 KMT2A (1.00) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL28710997 0.83 LMNA (0.68) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL1285869 0.83 ALDH1A1 (0.73) KMT2AL3MBTL1POLBALDH1A1LMNA
SCHEMBL743064 0.83 ALDH1A1 (0.73) KMT2AL3MBTL1POLBALDH1A1LMNA
SCHEMBL1285890 0.83 ALDH1A1 (0.73) KMT2AL3MBTL1POLBALDH1A1LMNA
SCHEMBL13761364 0.82 ALDH1A1 (0.66) MEN1KMT2ATDP1L3MBTL1POLB
SCHEMBL12461860 0.81 ALDH1A1 (0.71) KMT2AL3MBTL1POLBALDH1A1LMNA
SCHEMBL20022689 0.81 ALDH1A1 (0.71) KMT2AL3MBTL1POLBALDH1A1LMNA
SCHEMBL16348943 0.81 ALDH1A1 (0.71) KMT2AL3MBTL1POLBALDH1A1LMNA
SCHEMBL9829574 0.81 ALDH1A1 (0.65) MEN1KMT2ATDP1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846920-B2 Metal complexes MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
EP-1675929-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-06-22 EP disclosed
US-20100331506-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
US-7820822-B2 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon MERCK PATENT GMBH (DE) 2010-10-26 US disclosed
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon UDC IRELAND LIMITED (IE) 2007-02-15 US disclosed
EP-1675929-A1 METAL COMPLEXES MERCK PATENT GmbH (DE) 2006-07-05 EP disclosed
WO-2005033244-A1 METAL COMPLEXES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2005-04-14 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 (2 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-20100331506-A1 METAL COMPLEXES SOD1, AP1M1, AP2M1 MEN1 354/4885KMT2A 1588/4885TDP1 3173/4885
US-20070034863-A1 fac-tris[7,7-difluoro-7H-dibenzo[de,h]quinoline-C2,N]iridium(III) (Ir1)A: 7,7-Difluorodibenzo[de,h]quinoline; use in organic electronic devices such as electroluminescent elements, and to their use in displays based thereon NISCH, CISD1, AFF1 MEN1 1841/4885KMT2A 3293/4885TDP1 628/4885

“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.