SCHEMBL2801568

SCHEMBL2801568

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.62
SMN1; SMN2 Q16637 8/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
STAT1 P42224 1/20 0.40
GFER P55789 1/20 0.40
MAPK1 P28482 1/20 0.40
SMO Q99835 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2797633 0.85 CAPN1 (0.77) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2801590 0.78 CAPN1 (0.73) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2796763 0.77 CAPN1 (1.00) CAPN1SMN1; SMN2RAB9ANPC1
SCHEMBL7322290 0.73 CHRNB2 (0.52) CAPN1KMT2AHTT
SCHEMBL2800926 0.73 CAPN1 (1.00) CAPN1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL27965806 0.72 RAB9A (0.78) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2802437 0.71 CAPN1 (0.88) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL876387 0.70 RAB9A (0.58) CAPN1SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL541259 0.70 CAPN1 (0.75) CAPN1
SCHEMBL541244 0.70 CAPN1 (0.75) CAPN1

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 4 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
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-08-26 US 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.