SCHEMBL2800895

SCHEMBL2800895

O=C(O)c1cccnc1-c1nc2ccccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
HSD17B10 Q99714 4/20 0.54
HPGD P15428 4/20 0.54
TP53 P04637 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44

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
SCHEMBL2800330 0.82 RAB9A (0.52) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL8371022 0.80 NPC1 (0.58) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL8368661 0.79 HSD17B10 (0.57) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
Oxalic Acid SCHEMBL10565990 0.79 ALDH1A1 (0.47) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL29931105 0.78 MEN1 (0.60) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL692888 0.78 MEN1 (0.60) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL16581490 0.78 KDM4E (0.60) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL4064500 0.78 KDM4E (0.53) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL27784903 0.77 MEN1 (0.58) KDM4ETDP1NPC1RAB9AALDH1A1
SCHEMBL12076627 0.76 KDM4E (0.62) KDM4ETDP1NPC1RAB9AALDH1A1

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 KDM4E 624/4885TDP1 2276/4885NPC1 4325/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B KDM4E 577/4885TDP1 2348/4885NPC1 4352/4885

“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.