SCHEMBL427230

SCHEMBL427230

Brc1ccc(CCCN2CCOCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.70
POLB P06746 1/20 0.70
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 2/20 0.55
LSS P48449 1/20 0.53
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MPI P34949 1/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL578554 0.89 SIGMAR1 (0.60) SIGMAR1POLBKMT2ATSHRALDH1A1
SCHEMBL2326201 0.84 LTA4H (0.64) SIGMAR1
SCHEMBL12765222 0.83 SIGMAR1 (0.70) SIGMAR1POLBKMT2AHTTSMN1; SMN2
SCHEMBL2249610 0.83 SIGMAR1 (0.70) SIGMAR1POLBKMT2AHTTALDH1A1
SCHEMBL1909300 0.83 SIGMAR1 (0.70) SIGMAR1POLBKMT2AHTTALDH1A1
SCHEMBL21024457 0.83 SIGMAR1 (0.70) SIGMAR1POLBKMT2AHTTALDH1A1
SCHEMBL1711070 0.82 SIGMAR1 (1.00) SIGMAR1POLBKMT2AHTT
SCHEMBL1651281 0.81 SIGMAR1 (0.67) SIGMAR1POLBKMT2AHTTLSS
SCHEMBL28249031 0.81 SIGMAR1 (0.62) SIGMAR1
SCHEMBL20797123 0.80 SIGMAR1 (0.81) SIGMAR1POLBKMT2AHTT

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018165569-A1 THERAPEUTIC COMPOUNDS AND METHODS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 WO disclosed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-9296732-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-03-29 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES UNIV LELAND STANFORD JUNIOR (US) 2015-11-19 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-9085570-B2 Substituted benzamides and their uses THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-21 US disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
CN-1263751-C Novel compounds ASTRAZENECA AB (SE) 2006-07-12 CN disclosed
US-7030115-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2006-04-18 US disclosed
US-20060074085-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2006-04-06 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
US-20030236247-A1 N-sulfonylurea apoptosis promoters ABBVIE INC. 2003-12-25 US disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (5 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-20150329503-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA SIGMAR1 2972/4885POLB 970/4885KMT2A 459/4885
US-20060074085-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, BAD SIGMAR1 2873/4885POLB 438/4885KMT2A 3213/4885
US-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 SIGMAR1 28/4885POLB 3528/4885KMT2A 1576/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 SIGMAR1 57/4885POLB 3727/4885KMT2A 2712/4885
US-20030236247-A1 N-sulfonylurea apoptosis promoters BAX, BCL2, AIFM1 SIGMAR1 2342/4885POLB 619/4885KMT2A 3304/4885

“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.