SCHEMBL2797633

SCHEMBL2797633

CCCCC(NC(=O)c1ccccc1-c1csc(-c2ccccc2)n1)C(=O)C(N)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.77
SMN1; SMN2 Q16637 5/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
STAT1 P42224 1/20 0.41
GFER P55789 1/20 0.41
MAPK1 P28482 1/20 0.41
P2RY12 Q9H244 1/20 0.41
SMO Q99835 2/20 0.40

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
SCHEMBL2801590 0.93 CAPN1 (0.73) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2800926 0.87 CAPN1 (1.00) CAPN1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL2796763 0.86 CAPN1 (1.00) CAPN1SMN1; SMN2RAB9ANPC1
SCHEMBL2801568 0.85 CAPN1 (0.62) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2802410 0.83 CAPN1 (0.87) CAPN1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL2802437 0.80 CAPN1 (0.88) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL27965806 0.74 RAB9A (0.78) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2799591 0.73 CAPN1 (1.00) CAPN1
SCHEMBL21854119 0.72 CAPN1 (0.58) CAPN1ALDH1A1TACR3
SCHEMBL20027905 0.72 CAPN1 (0.58) CAPN1ALDH1A1TACR3

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 13 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 claimed
US-20150045394-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-02-12 US claimed
US-8906941-B2 Carboxamide compounds and their use as calpain inhibitors ABBVIE INC. (US) 2014-12-09 US claimed
EP-2398783-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2011-12-28 EP claimed
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 US claimed
WO-2010094755-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-08-26 WO claimed
US-9567325-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2017-02-14 US disclosed
CN-105968090-A Carboxamide compounds and their use as calpain inhibitors ABBVIE 公司 2016-09-28 CN 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 4/4885SMN1; SMN2 1252/4885RAB9A 3300/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B CAPN1 4/4885SMN1; SMN2 1215/4885RAB9A 3299/4885

“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.