SCHEMBL16965481

SCHEMBL16965481

COC(=O)C(c1ccccc1)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
ATM Q13315 1/20 0.51
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
CASR P41180 1/20 0.48
TAS2R14 Q9NYV8 1/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
EPHX1 P07099 1/20 0.47
CNR2 P34972 1/20 0.47
EPOR P19235 1/20 0.46
KLK7 P49862 1/20 0.46

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
SCHEMBL16965479 1.00 TDP1 (0.56) TDP1ATMACHETP53MAPT
SCHEMBL16964684 0.89 TDP1 (0.57) TDP1ATMACHETP53MAPT
SCHEMBL24742779 0.81 ALDH1A1 (0.47) TDP1TP53MAPTKMT2AALDH1A1
SCHEMBL5161216 0.78 KMT2A (0.43) TDP1ATMTP53MAPTKMT2A
SCHEMBL5161221 0.78 KMT2A (0.43) TDP1ATMTP53MAPTKMT2A
SCHEMBL26618376 0.78 ALDH1A1 (0.49) TDP1ACHEKMT2AALDH1A1SMN1; SMN2
SCHEMBL26618380 0.78 ALDH1A1 (0.49) TDP1ACHEKMT2AALDH1A1SMN1; SMN2
SCHEMBL16964741 0.76 TDP1 (0.48) TDP1ACHEMAPTCASRTAS2R14
SCHEMBL23494950 0.75 ESR1 (0.63) TDP1ATMCASRKMT2AALDH1A1
SCHEMBL25294876 0.75 TDP1 (0.60) TDP1ATMACHETAS2R14KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900241-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-08-08 EP disclosed
EP-2900223-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-10-25 EP disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-9226922-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 US disclosed
EP-2900241-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP disclosed
EP-2900223-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-08-05 EP 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 (2 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-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 TDP1 2597/4885ATM 585/4885ACHE 4359/4885
US-20150258074-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 TDP1 867/4885ATM 468/4885ACHE 3648/4885

“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.