SCHEMBL2800330

SCHEMBL2800330

CCOC(=O)c1cccnc1-c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
NPC1 O15118 5/20 0.52
PKM P14618 1/20 0.52
TSHR P16473 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 3/20 0.47
HTT P42858 2/20 0.46
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL22660407 0.83 ALDH1A1 (0.52) RAB9AALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL28252034 0.83 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL2800895 0.82 KDM4E (0.57) RAB9AALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL28954461 0.81 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL16676925 0.76 KDM6B (0.52) RAB9AALDH1A1SMN1; SMN2NPC1PKM
SCHEMBL2564440 0.75 ALDH1A1 (0.60) RAB9AALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL25780705 0.75 TSHR (0.58) RAB9AALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL30071543 0.74 TSHR (0.57) RAB9AALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL27862967 0.74 TSHR (0.57) RAB9AALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL3621004 0.74 RAB9A (0.53) RAB9AALDH1A1SMN1; SMN2NPC1PKM

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 RAB9A 3300/4885ALDH1A1 4565/4885SMN1; SMN2 1252/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B RAB9A 3299/4885ALDH1A1 4543/4885SMN1; SMN2 1215/4885

“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.