SCHEMBL1375290

SCHEMBL1375290

O=C(c1ccc2ccccc2c1)N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
HPGD P15428 1/20 0.68
AKR1C1 Q04828 1/20 0.66
SIGMAR1 Q99720 1/20 0.65
NPC1 O15118 2/20 0.64
LMNA P02545 2/20 0.64
RAB9A P51151 1/20 0.64
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
2-Naphthaldehyde SCHEMBL27865102 0.89 AKR1C1 (0.61) TSHRHPGDAKR1C1SIGMAR1NPC1
SCHEMBL4310722 0.88 TSHR (0.84) TSHRHPGDAKR1C1NPC1LMNA
SCHEMBL29167317 0.86 LMNA (0.55) TSHRHPGDAKR1C1SIGMAR1NPC1
SCHEMBL7218802 0.85 HPGD (0.73) TSHRHPGDAKR1C1NPC1LMNA
SCHEMBL29941490 0.83 HPGD (0.71) TSHRHPGDAKR1C1NPC1LMNA
SCHEMBL10197843 0.83 HPGD (0.71) TSHRHPGDAKR1C1NPC1LMNA
SCHEMBL1588162 0.82 TSHR (0.69) TSHRHPGDAKR1C1NPC1LMNA
SCHEMBL8358286 0.81 SIGMAR1 (0.76) TSHRHPGDSIGMAR1LMNAUSP2
SCHEMBL30250352 0.81 GPR6 (0.54) TSHRHPGDAKR1C1SIGMAR1NPC1
SCHEMBL17533885 0.81 TSHR (0.56) TSHRHPGDAKR1C1NPC1LMNA

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-114656372-B P-phenylenediamine bridging compound and application thereof in preparation of medicines for treating sugar metabolism disorder diseases 广州药本君安医药科技股份有限公司 2024-06-18 CN disclosed
CN-114573476-B Linear head-tail diamine bridging compound and application thereof in preparation of medicines for treating sugar metabolic disorder diseases 广州药本君安医药科技股份有限公司 2024-06-11 CN disclosed
CN-114656371-B 1, 4-cyclohexanediamine bridged compounds and their use in the treatment of disorders of glucose metabolism 广州药本君安医药科技股份有限公司 2024-03-12 CN disclosed
CN-114656371-A 1, 4-cyclohexanediamine bridged compound and application thereof in preparing medicament for treating glycometabolism disorder diseases 广州药本君安医药科技股份有限公司 2022-06-24 CN disclosed
CN-114656372-A P-phenylenediamine bridged compound and application thereof in preparation of medicines for treating glycometabolism disorder diseases 广州药本君安医药科技股份有限公司 2022-06-24 CN disclosed
CN-114573476-A Linear head-tail diamine bridged compound and application thereof in preparing medicament for treating glycometabolism disorder diseases 广州药本君安医药科技股份有限公司 2022-06-03 CN disclosed
CN-112500314-B Compound, preparation method thereof and application thereof in preparing medicament for treating glycometabolism disorder diseases 广州药本君安医药科技股份有限公司 2022-05-13 CN disclosed
CN-112500314-A Compound, preparation method thereof and application thereof in preparing medicament for treating glycometabolism disorder diseases 广州药本君安医药科技股份有限公司 2021-03-16 CN disclosed
EP-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
CN-108623536-B Substituted o-hydroxybenzene ketone compound and preparation method and application thereof 浙江省医学科学院 2020-05-08 CN disclosed
US-7981895-B2 Histone deacetylase inhibitor; anticancer agents; antiproliferative agents; antitumor agents; psoriasis; piperazine compound containing a carbamic acid group TOPOTARGET UK LIMITED (GB) 2011-07-19 US disclosed
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 WO disclosed
EP-1485099-B1 INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2010-07-07 EP disclosed
US-7629343-B2 Carbamic acid compounds comprising a piperazine linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-12-08 US disclosed
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-10-30 US disclosed
EP-1492534-B1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LTD (GB) 2008-06-25 EP 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
WO-2003075929-A1 INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-18 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-20050143385-A1 Carbamic acid compounds comprising a piperazine linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 TSHR 4057/4885HPGD 1108/4885AKR1C1 619/4885
US-20080269237-A1 CARBAMIC ACID COMPOUNDS COMPRISING A PIPERAZINE LINKAGE AS HDAC INHIBITORS HDAC5, HDAC1, HDAC7 TSHR 3923/4885HPGD 1325/4885AKR1C1 2613/4885

“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.