SCHEMBL1784500

SCHEMBL1784500

CCCCN(c1ccc2ccccc2n1)c1ccc2cccc(O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCF1 P14598 2/20 0.43
CYP1A2 P05177 2/20 0.42
HIF1A Q16665 2/20 0.42
METAP2 P50579 1/20 0.42
PLAU P00749 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL359691 0.93 METAP2 (0.47) DHFRHDAC8NCF1CYP1A2HIF1A
SCHEMBL15886634 0.86 NCF1 (0.56) DHFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL12827741 0.81 METAP2 (0.46) HDAC8NCF1CYP1A2HIF1AMETAP2
SCHEMBL1507976 0.76 DHFR (0.49) DHFRALDH1A1KDM4E
SCHEMBL25488411 0.74 NCF1 (0.56) NCF1CYP1A2LMNAALDH1A1MAPT
SCHEMBL13371376 0.71 NCF1 (0.62) DHFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1507775 0.71 PDE10A (0.46) DHFRLMNAALDH1A1HPGDKMT2A
SCHEMBL5943598 0.70 NCF1 (0.52) DHFRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3230745 0.70 METAP2 (0.58) HDAC8NCF1CYP1A2HIF1AMETAP2
SCHEMBL8344571 0.70 METAP2 (0.58) HDAC8NCF1CYP1A2HIF1AMETAP2

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 DHFR 4812/4885HDAC3 4511/4885HDAC4 4784/4885

“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.