SCHEMBL15428189

SCHEMBL15428189

CCCCC#Cc1c(C=O)ccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CXCR2 P25025 1/20 0.40
ERN1 O75460 1/20 0.36
CYP3A4 P08684 3/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.34
PTPN1 P18031 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL2830195 0.78 KCNH2 (0.44) TDP1L3MBTL1CYP3A4TSHRPOLB
SCHEMBL19670929 0.76 GAA (0.36) TDP1GAAL3MBTL1ERN1POLB
SCHEMBL15428220 0.73 CYP3A4 (0.53) TDP1CYP3A4TSHRPOLBMEN1
SCHEMBL15428211 0.73 TDP1 (0.47) TDP1L3MBTL1ERN1TSHRPOLB
SCHEMBL30134862 0.73 TDP1 (0.47) TDP1L3MBTL1ERN1TSHRPOLB
SCHEMBL7912520 0.72 KCNH2 (0.42) GAACXCR2MEN1KMT2AKDM4E
SCHEMBL15467482 0.72 ERN1 (0.43) TDP1L3MBTL1ERN1CYP3A4TSHR
SCHEMBL1611573 0.71 MAPT (0.45) TDP1CYP3A4TSHRPOLBMEN1
SCHEMBL7193571 0.71 CA1 (0.47) TDP1GAAERN1CYP3A4TSHR
SCHEMBL15427811 0.71 ERN1 (0.42) TDP1ERN1CYP3A4TSHRPOLB

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 TDP1 3464/4885GAA 3358/4885L3MBTL1 3160/4885

“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.