SCHEMBL15427702

SCHEMBL15427702

CC(C)(C)C(=O)Nc1c(C=O)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ11 Q14654 9/20 0.42
ABCC9 O60706 7/20 0.42
ABCC8 Q09428 7/20 0.42
KCNJ8 Q15842 7/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL2892422 0.83 ABCC9 (0.55) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL7539767 0.80 GAA (0.53) KCNJ11ABCC9ABCC8KCNJ8MEN1
SCHEMBL15427833 0.77 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL21320132 0.76 ERN1 (0.42) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL16381880 0.76 ERN1 (0.46) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL15428050 0.76 L3MBTL1 (0.42) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL2975369 0.73 ERN1 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL15565974 0.73 CETP (0.47) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12513036 0.73 PDK1 (0.51) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL30621465 0.73 ERN1 (0.46) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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 KCNJ11 352/4885ABCC9 2543/4885ABCC8 3995/4885

“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.