SCHEMBL2800159

SCHEMBL2800159

O=C(O)c1cccnc1-c1coc(-c2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.60
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
SMO Q99835 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ENPP3 O14638 2/20 0.43
ENPP1 P22413 2/20 0.43
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4B Q07343 1/20 0.42
NAPRT Q6XQN6 2/20 0.41

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
SCHEMBL2801021 0.84 CAPN1 (0.56) CAPN1KDM4ETDP1ALDH1A1MAPT
SCHEMBL15467862 0.81 KDM4E (0.61) KDM4ETDP1SMOALDH1A1CYP3A4
SCHEMBL31586013 0.78 KDM4E (0.77) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL912675 0.78 KDM4E (0.77) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL2800351 0.77 CAPN1 (1.00) CAPN1
SCHEMBL646624 0.75 KDM4E (0.71) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL29693966 0.75 KDM4E (0.71) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL8195742 0.75 KDM4E (0.61) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL15467864 0.75 KDM4E (0.66) KDM4ETDP1ALDH1A1CYP3A4MAPT
SCHEMBL270419 0.74 KDM4E (1.00) KDM4ETDP1ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567325-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2017-02-14 US disclosed
US-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-12 US disclosed
US-8906941-B2 Carboxamide compounds and their use as calpain inhibitors ABBVIE INC. (US) 2014-12-09 US disclosed
EP-2398783-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2011-12-28 EP disclosed
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 US disclosed
WO-2010094755-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-08-26 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 (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-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAMK4, CAMK2A, CAMK2B CAPN1 4/4885KDM4E 624/4885TDP1 2276/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B CAPN1 4/4885KDM4E 577/4885TDP1 2348/4885

“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.