SCHEMBL18015446

SCHEMBL18015446

CC(C)(C)c1nc2cc(Cl)ccc2c2nc3cc4c(cc3n12)C(C)(C)CC4(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NR4A2 P43354 1/20 0.32
HCRTR1 O43613 1/20 0.31
MAPT P10636 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KCNH2 Q12809 1/20 0.31
MCHR1 Q99705 1/20 0.31
PDE2A O00408 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
IDE P14735 1/20 0.30

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
SCHEMBL21289810 0.86 IDH1 (0.33) KDM4EALDH1A1HPGDHRH4
SCHEMBL25100940 0.86
SCHEMBL15428183 0.85 ALDH1A1 (0.47) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL23956175 0.84 CNR1 (0.33) KDM4EALDH1A1HPGD
SCHEMBL15428256 0.81 L3MBTL1 (0.33) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL15427868 0.80
SCHEMBL15427867 0.80
SCHEMBL15428258 0.80 KDM4E (0.34) MEN1KMT2AMAPK1KDM4EALDH1A1
SCHEMBL21289975 0.79 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL17084922 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC AHR 3350/4885MEN1 2821/4885KMT2A 3131/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 AHR 2682/4885MEN1 1212/4885KMT2A 3024/4885

“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.