SCHEMBL15428256

SCHEMBL15428256

Cc1ccc2nc(C(C)(C)C)n3c4cc5c(cc4nc3c2c1)C(C)(C)CC5(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.33
ACSS2 Q9NR19 2/20 0.32
KMT2A Q03164 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
IDH1 O75874 1/20 0.32
ADRB2 P07550 3/20 0.32
RXRA P19793 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 2/20 0.30
THRB P10828 1/20 0.30
RAB9A P51151 1/20 0.30
JAK2 O60674 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
SCHEMBL15428258 0.87 KDM4E (0.34) L3MBTL1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL15428183 0.86 ALDH1A1 (0.47) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL15427867 0.81
SCHEMBL21289810 0.81 IDH1 (0.33) KDM4EALDH1A1HPGDIDH1
SCHEMBL15427868 0.81
SCHEMBL18015446 0.81 AHR (0.35) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL15427916 0.79 ALDH1A1 (0.33) ACSS2KDM4EALDH1A1HPGD
SCHEMBL17084922 0.79
SCHEMBL20796680 0.78 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL15427826 0.78 ALDH1A1 (0.42) KMT2AKDM4EMEN1ALDH1A1HPGD

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 L3MBTL1 3160/4885ACSS2 3355/4885KMT2A 2922/4885

“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.