SCHEMBL289069

SCHEMBL289069

O=C(OCc1ccccc1)c1cccc(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.51
TDP1 Q9NUW8 3/20 0.50
KMT2A Q03164 2/20 0.50
MMP13 P45452 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MMP12 P39900 2/20 0.48
MMP1 P03956 1/20 0.48
ALDH1A1 P00352 7/20 0.47
LMNA P02545 3/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
F10 P00742 2/20 0.43
F2 P00734 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL289221 0.81 CAPN1 (0.54) CAPN1KMT2AALDH1A1LMNAGSK3A
SCHEMBL28020981 0.78 CAPN1 (0.59) CAPN1KMT2AALDH1A1LMNAGSK3A
SCHEMBL29020281 0.76 TDP1 (0.53) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL5258380 0.75 ALDH1A1 (0.46) TDP1KMT2AMMP13SLC6A2SLC6A3
SCHEMBL10692269 0.73 KMT2A (0.54) TDP1KMT2AMMP13SLC6A2SLC6A3
SCHEMBL3295158 0.72 F10 (0.53) TDP1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL23174424 0.72 TSHR (0.62) TDP1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28673234 0.71 USP2 (0.46) CAPN1KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL31273232 0.71 TDP1 (0.54) TDP1KMT2ASLC6A2SLC6A3MMP2
SCHEMBL20201248 0.71 NPC1 (0.72) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427429-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2017-02-15 EP disclosed
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US disclosed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 US disclosed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 US disclosed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 US disclosed
US-8283363-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT LABORATORIES (US) 2012-10-09 US disclosed
US-8236798-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2012-08-07 US disclosed
EP-2427429-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-03-14 EP disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 US disclosed
WO-2010128102-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 WO disclosed
US-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 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 (4 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-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885TDP1 1980/4885KMT2A 1409/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885TDP1 1980/4885KMT2A 1409/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885TDP1 1980/4885KMT2A 1409/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885TDP1 1980/4885KMT2A 1409/4885

“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.