SCHEMBL15428211

SCHEMBL15428211

O=Cc1ccc2ccccc2c1C#Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
ATM Q13315 2/20 0.47
ERN1 O75460 3/20 0.42
APP P05067 1/20 0.40
POLB P06746 2/20 0.39
PTPN1 P18031 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ADORA2A P29274 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30134862 1.00 TDP1 (0.47) TDP1L3MBTL1ATMERN1APP
SCHEMBL15467482 0.79 ERN1 (0.43) TDP1L3MBTL1ERN1POLBPTPN1
SCHEMBL30439279 0.77 CA1 (0.47) TDP1ERN1POLBPTPN1MEN1
SCHEMBL7193571 0.77 CA1 (0.47) TDP1ERN1POLBPTPN1MEN1
SCHEMBL15427811 0.77 ERN1 (0.42) TDP1ERN1POLBPTPN1MEN1
SCHEMBL28392347 0.76 APP (0.52) TDP1L3MBTL1ATMAPPMEN1
SCHEMBL6370266 0.75 APP (0.46) TDP1L3MBTL1ATMAPPMEN1
SCHEMBL18091340 0.74 APP (0.50) TDP1L3MBTL1ATMAPPMEN1
SCHEMBL20018387 0.74 APP (0.44) TDP1L3MBTL1ATMAPPMEN1
SCHEMBL15745349 0.74 APP (0.44) TDP1L3MBTL1ATMAPPPOLB

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 3464/4885L3MBTL1 3160/4885ATM 3760/4885

“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.