SCHEMBL2800602

SCHEMBL2800602

NC(=O)c1ccc(C(Cc2ccccc2)C(O)C(N)=O)nc1-c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CHEK1 O14757 2/20 0.40
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
AURKB Q96GD4 1/20 0.38
CHEK2 O96017 2/20 0.38
SYK P43405 1/20 0.38
LRRK2 Q5S007 1/20 0.38
TSSK3 Q96PN8 1/20 0.38
MMP2 P08253 3/20 0.37
MMP13 P45452 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37

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
SCHEMBL2800596 0.78 CHEK1 (0.39) SMN1; SMN2CHEK1KDM4ERAB9ACYP1A2
SCHEMBL2800282 0.72 PYGL (0.47) SMN1; SMN2CHEK1KDM4ECYP1A2CYP3A4
SCHEMBL8521596 0.67 EPHX1 (0.45) CYP1A2ALDH1A1
SCHEMBL30412663 0.65 RAB9A (0.75) SMN1; SMN2KDM4ERAB9AALDH1A1HPGD
SCHEMBL3698974 0.65 RAB9A (0.75) SMN1; SMN2KDM4ERAB9AALDH1A1HPGD
SCHEMBL2798791 0.64 CAPN1 (0.61)
SCHEMBL6801996 0.63 CCNC (0.39) SMN1; SMN2ALDH1A1PARP1
SCHEMBL6802004 0.63 CCNC (0.39) SMN1; SMN2ALDH1A1PARP1
SCHEMBL15550309 0.63 CHEK1 (0.46) SMN1; SMN2CHEK1KDM4ERAB9AALDH1A1
SCHEMBL17048129 0.63 KDM4E (0.56) SMN1; SMN2CHEK1KDM4ERAB9ACYP3A4

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 SMN1; SMN2 1252/4885CHEK1 2491/4885KDM4E 624/4885
US-20100216844-A1 Carboxamide compounds and their use as calpain inhibitors CAMK4, CAMK2A, CAMK2B SMN1; SMN2 1215/4885CHEK1 2497/4885KDM4E 577/4885

“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.