SCHEMBL1785244

SCHEMBL1785244

Oc1cccc2ccc(C=Cc3ccccc3Br)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 1.00
KMT2A Q03164 15/20 1.00
NPC1 O15118 8/20 1.00
RAB9A P51151 6/20 1.00
HSP90AA1 P07900 4/20 1.00
AGTR1 P30556 2/20 0.70
ECE2 P0DPD6 1/20 0.60
HTT P42858 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPK1 P28482 1/20 0.59
CD74 P04233 1/20 0.58
MIF P14174 1/20 0.58
LCK P06239 1/20 0.58
POLB P06746 1/20 0.56
MCL1 Q07820 1/20 0.56
CASP3 P42574 1/20 0.56

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
SCHEMBL1785243 1.00 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL1784650 0.82 MEN1 (0.70) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16970987 0.82 MEN1 (0.70) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL1784646 0.82 MEN1 (0.70) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16970988 0.82 MEN1 (0.70) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16971024 0.82 KMT2A (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16971022 0.82 KMT2A (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16971009 0.79 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL16971008 0.79 MEN1 (1.00) MEN1KMT2ANPC1RAB9AHSP90AA1
SCHEMBL14681471 0.79 KMT2A (0.77) MEN1KMT2ANPC1RAB9AHSP90AA1

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-9012899-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2015-04-21 US disclosed
US-20130292660-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS BASF SE (DE) 2013-11-07 US disclosed
US-8492749-B2 Electroluminescent metal complexes with nucleophilic carbene ligands BASF SE (DE) 2013-07-23 US disclosed
US-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands UDC IRELAND LIMITED (IE) 2011-05-19 US disclosed
EP-2080796-A1 Electroluminescent metal complexes with nucleophilic carbene ligands Ciba Holding Inc. (CH) 2009-07-22 EP disclosed
EP-1841834-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-10 EP disclosed
WO-2006067074-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH NUCLEOPHILIC CARBENE LIGANDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-06-29 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 (1 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-20110114922-A1 Electroluminescent Metal Complexes with Nucleophilic Carbene Ligands OCIAD1, OCIAD2, C1S MEN1 2019/4885KMT2A 3572/4885NPC1 4207/4885

“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.