SCHEMBL1375337

SCHEMBL1375337

N#Cc1ccc(C(=O)N2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.64
MKNK1 Q9BUB5 3/20 0.59
MKNK2 Q9HBH9 3/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.56
PDK1 Q15118 1/20 0.56
PDK2 Q15119 1/20 0.56
PDK3 Q15120 1/20 0.56
PDK4 Q16654 1/20 0.56
GPR183 P32249 1/20 0.56
SLC6A7 Q99884 1/20 0.55
EPHX2 P34913 1/20 0.52
SCN7A Q01118 1/20 0.50
KCNH2 Q12809 1/20 0.50
SCN9A Q15858 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNA5 P22460 1/20 0.49

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
Hydrochloric Acid SCHEMBL7718789 0.98 SIGMAR1 (0.62) SIGMAR1MKNK1MKNK2CYP3A4HPGD
Trifluoroacetic Acid SCHEMBL7719722 0.90 PDK1 (0.57) SIGMAR1MKNK1MKNK2CYP3A4HPGD
SCHEMBL8358137 0.87 SIGMAR1 (0.81) SIGMAR1MKNK1MKNK2HPGDALDH1A1
SCHEMBL31387922 0.86 HPGD (0.68) MKNK1MKNK2HPGDALDH1A1PDK1
SCHEMBL31387924 0.86 HPGD (0.68) MKNK1MKNK2HPGDALDH1A1PDK1
SCHEMBL3633068 0.84 HPGD (0.71) MKNK1MKNK2HPGDALDH1A1PDK1
SCHEMBL2002543 0.83 ALDH1A1 (0.56) MKNK1MKNK2CYP3A4HPGDALDH1A1
SCHEMBL1376624 0.83 PDK1 (0.59) MKNK1MKNK2CYP3A4HPGDALDH1A1
SCHEMBL851451 0.82 SCN9A (0.63) SIGMAR1MKNK1MKNK2CYP3A4SCN7A
SCHEMBL3640363 0.82 SIGMAR1 (0.73) SIGMAR1MKNK1MKNK2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820287-B Magnolol derivative, and preparation method and application thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2026-05-26 CN disclosed
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 WO disclosed
CN-117820287-A Magnolol derivative, and preparation method and application thereof 中国药科大学 2024-04-05 CN disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
WO-2021121420-A1 BENZOPYRAZOLE COMPOUND AND INTERMEDIATE, PREPARATION METHOD, AND APPLICATION THEREOF 江苏凯迪恩医药科技有限公司 2021-06-24 WO disclosed
EP-2799435-B1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DIAO PHARMACEUTICAL GROUP CO LTD (CN) 2018-03-28 EP disclosed
US-9187430-B2 Poly (ADP-ribose) polymerase inhibitor CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-11-17 US disclosed
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD. (CN) 2015-02-19 US disclosed
EP-2799435-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR Chengdu Di'ao Pharmaceutical Group Co. Ltd. (CN) 2014-11-05 EP disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2005-06-30 US disclosed
EP-1492534-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-01-05 EP disclosed
WO-2003082288-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2003-10-09 WO disclosed
EP-0991650-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER IND & SANTE (FR) 2003-09-10 EP disclosed
EP-0991650-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 2000-04-12 EP disclosed
EP-0925295-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1999-06-30 EP disclosed
WO-1999000387-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER INDUSTRIE ET SANTE (FR) 1999-01-07 WO disclosed
WO-1998003503-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-01-29 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 (3 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-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 SIGMAR1 4073/4885MKNK1 1664/4885MKNK2 1566/4885
US-20150051211-A1 POLY (ADP-RIBOSE) POLYMERASE INHIBITOR PARP1, PARP2, PARP11 SIGMAR1 4739/4885MKNK1 673/4885MKNK2 699/4885
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 SIGMAR1 662/4885MKNK1 3636/4885MKNK2 3603/4885

“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.