SCHEMBL15428258

SCHEMBL15428258

CC(C)(C)c1nc2ccc(F)cc2c2nc3cc4c(cc3n12)C(C)(C)CC4(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
DHODH Q02127 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HCRTR1 O43613 1/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP3 P42574 1/20 0.31
RXRA P19793 1/20 0.31
PLA2G2A P14555 1/20 0.31
PDE2A O00408 2/20 0.31
PDE10A Q9Y233 2/20 0.31
TRPV4 Q9HBA0 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL15428256 0.87 L3MBTL1 (0.33) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15428183 0.85 ALDH1A1 (0.47) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL15428193 0.80 ALDH1A1 (0.34) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL18015446 0.80 AHR (0.35) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL21289810 0.80 IDH1 (0.33) KDM4EALDH1A1HPGD
SCHEMBL17084922 0.78
SCHEMBL15427868 0.77
SCHEMBL20796680 0.77 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL15427867 0.77
SCHEMBL15427826 0.77 ALDH1A1 (0.42) KDM4EALDH1A1HPGDKMT2AMEN1

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-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 KDM4E 3816/4885ALDH1A1 3721/4885HPGD 3882/4885

“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.