SCHEMBL3637995

SCHEMBL3637995

C=CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
CA12 O43570 6/20 0.49
CA9 Q16790 6/20 0.49
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.41
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL14756250 0.95 TDP1 (0.62) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13817633 0.93 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL13012784 0.93 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL30304503 0.93 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL6454335 0.93 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3499307 0.93 TDP1 (0.65) TDP1MEN1GAAKMT2AMAOA
SCHEMBL360688 0.89 TDP1 (0.53) TDP1MEN1GAAKMT2AMAOA
SCHEMBL894902 0.85 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL5680637 0.85 TDP1 (0.62) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7827610 0.85 ABCC4 (0.56) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528767-B2 HDAC6 inhibitors and uses thereof EIKONIZO THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
US-20240042053-A1 GLYCOCONJUGATES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2024-02-08 US disclosed
EP-3805243-B1 ANDROSTANE DERIVATIVES WITH ACTIVITY AS PURE OR PREDOMINANTLY PURE STIMULATORS OF SERCA2A FOR THE TREATMENT OF HEART FAILURE WINDTREE THERAPEUTICS INC (US) 2023-11-15 EP disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 WO disclosed
EP-4228703-A1 GLYCOCONJUGATES University of Georgia Research Foundation, Inc. (US) 2023-08-23 EP disclosed
CN-116615256-A Glycoconjugates 乔治亚大学研究基金会 2023-08-18 CN disclosed
WO-2023114472-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-06-22 WO disclosed
US-20230009312-A1 Androstane Derivatives with Activity as Pure or Predominantly Pure Stimulators of SERCA2a for the Treatment of Heart Failure. WINDTREE THERAPEUTICS, INC. (US) 2023-01-12 US disclosed
US-20220281814-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2022-09-08 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 WO disclosed
US-7332517-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments Société de Conseils de Recheres et d'Applications Scientifiques (SCRAS) (FR) 2008-02-19 US disclosed
US-20070299073-A1 Imidazolyl derivatives IPSEN PHARMA S.A.S. (FR) 2007-12-27 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-7199145-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D' 'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2007-04-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SCRAS 2007-01-25 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
EP-0229944-A2 Novel tetrahydroisoquinoline derivatives SYNTEX (U.S.A.) INC. (US) 1987-07-29 EP 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 (7 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-20220281814-A1 HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC5 TDP1 1112/4885MEN1 4095/4885GAA 66/4885
US-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments ADCYAP1R1, HPRT1, ALPI TDP1 643/4885MEN1 152/4885GAA 2628/4885
US-20230009312-A1 Androstane Derivatives with Activity as Pure or Predominantly Pure Stimulators of SERCA2a for the Treatment of Heart Failure. ATP2A1, ATP2A2, ATP2A3 TDP1 3534/4885MEN1 4368/4885GAA 949/4885
US-20070299073-A1 Imidazolyl derivatives SSTR5, SSTR3, SSTR2 TDP1 4624/4885MEN1 289/4885GAA 2622/4885
US-12528767-B2 HDAC6 inhibitors and uses thereof HDAC6, HDAC1, HDAC11 TDP1 1617/4885MEN1 2948/4885GAA 744/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR TDP1 4798/4885MEN1 41/4885GAA 1005/4885
US-20240042053-A1 GLYCOCONJUGATES FUT6, EPCAM, FUT5 TDP1 3910/4885MEN1 3132/4885GAA 154/4885

“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.