SCHEMBL2800282

SCHEMBL2800282

NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccnc1-c1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
PDE10A Q9Y233 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CAPN1 P07384 4/20 0.44
CCR1 P32246 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AB1 P08238 1/20 0.40
CHEK1 O14757 1/20 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
SCHEMBL2798791 0.85 CAPN1 (0.61) CAPN1
SCHEMBL2797648 0.81 CAPN1 (0.46) PYGLCAPN1CCR1
SCHEMBL2800741 0.79 CAPN1 (0.47) PYGLCAPN1CCR1
SCHEMBL2803091 0.79 ALDH1A1 (0.58) PYGLSMN1; SMN2KDM4EMAPTCAPN1
SCHEMBL2801618 0.75 CAPN1 (0.75) PYGLCAPN1CCR1
SCHEMBL2798614 0.74 KDM4E (0.65) SMN1; SMN2PDE10AKDM4EALDH1A1LMNA
SCHEMBL2800596 0.74 CHEK1 (0.39) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3713862 0.74 CAPN1 (0.58) CAPN1
SCHEMBL2802814 0.72 CAPN1 (0.67) PYGLKDM4EMAPTCAPN1CYP1A2
SCHEMBL2800602 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2D6

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 PYGL 417/4885SMN1; SMN2 1252/4885PDE10A 2420/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B PYGL 436/4885SMN1; SMN2 1215/4885PDE10A 2410/4885

“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.