SCHEMBL2803091

SCHEMBL2803091

NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 3/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CAPN1 P07384 9/20 0.51
MMP1 P03956 1/20 0.44
FCER2 P06734 1/20 0.44
CCR1 P32246 4/20 0.42
PYGL P06737 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 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
SCHEMBL2800991 0.85 CAPN1 (0.71) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL2800741 0.79 CAPN1 (0.47) CAPN1CCR1PYGL
SCHEMBL2800282 0.79 PYGL (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2CAPN1
SCHEMBL2799523 0.79 CAPN1 (0.67) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL2802814 0.78 CAPN1 (0.67) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL2801618 0.77 CAPN1 (0.75) CAPN1CCR1PYGL
SCHEMBL11011887 0.74 KDM4E (0.60) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL2800334 0.74 CAPN1 (0.70) ALDH1A1KDM4EHPGDMEN1MAPT
SCHEMBL3713862 0.74 CAPN1 (0.58) CAPN1
SCHEMBL2797648 0.74 CAPN1 (0.46) CAPN1CCR1PYGL

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 ALDH1A1 4565/4885KDM4E 624/4885HPGD 3070/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B ALDH1A1 4543/4885KDM4E 577/4885HPGD 3120/4885

“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.