SCHEMBL2391033

SCHEMBL2391033

N#CCCNC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
HTT P42858 1/20 0.61
KEAP1 Q14145 2/20 0.57
NFE2L2 Q16236 2/20 0.57
TGM2 P21980 1/20 0.55
CTSS P25774 6/20 0.54
CTSL P07711 5/20 0.54
CTSB P07858 3/20 0.54
CTSK P43235 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 1/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A1 P43005 1/20 0.51
GUSB P08236 1/20 0.51

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
SCHEMBL12176970 0.91 HTT (0.67) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL7604913 0.90 HTT (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL6539554 0.86 LMNA (0.67) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL13055383 0.85 LMNA (0.80) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL708331 0.84 LMNA (0.65) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL6183204 0.84 CTSS (0.49) LMNASMN1; SMN2HTTKEAP1NFE2L2
SCHEMBL854096 0.84 CTSS (0.68) LMNASMN1; SMN2HTTCTSSCTSL
SCHEMBL31412747 0.82 HTT (0.59) LMNASMN1; SMN2HTTKEAP1NFE2L2
Water SCHEMBL8101580 0.82 LMNA (0.71) LMNASMN1; SMN2HTTKEAP1NFE2L2
Benzyl Phenethylcarbamate SCHEMBL27338403 0.82 LMNA (0.61) LMNASMN1; SMN2HTTKEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908765-B1 THIENOPYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2014-10-22 EP disclosed
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8377944-B2 Thienopyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES GOTANDA KOTARO (JP) 2013-01-24 US disclosed
US-8293754-B2 Thienopyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
US-20090203703-A1 Thienopyrimidine Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 US disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
EP-1908765-A1 THIENOPYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2008-04-09 EP disclosed
US-20070105924-A1 Vigabatrin bioisoteres and related methods of use NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-05-10 US disclosed
WO-2007035964-A2 VIGABATRIN BIOISOTERES AND RELATED METHODS OF USE NORTHWESTERN UNIVERSITY (US) 2007-03-29 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 (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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 LMNA 3193/4885SMN1; SMN2 3828/4885HTT 4215/4885
US-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES PDE9A, BPHL, THOP1 LMNA 4474/4885SMN1; SMN2 2219/4885HTT 1198/4885
US-20070105924-A1 Vigabatrin bioisoteres and related methods of use GABRB3, GABRB2, GABRE LMNA 4616/4885SMN1; SMN2 2340/4885HTT 1447/4885
US-20090203703-A1 Thienopyrimidine Derivatives PDE9A, BPHL, THOP1 LMNA 4474/4885SMN1; SMN2 2219/4885HTT 1198/4885

“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.