SCHEMBL6544369

SCHEMBL6544369

CC(=O)[N]Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.53
HTR3B O95264 2/20 0.53
HTR3A P46098 2/20 0.53
HTR3D Q70Z44 2/20 0.53
HTR3C Q8WXA8 2/20 0.53
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
TAAR1 Q96RJ0 4/20 0.47
GRIN2B Q13224 3/20 0.47
CTBP2 P56545 1/20 0.47
PNMT P11086 2/20 0.47
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
RIPK1 Q13546 1/20 0.44

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
SCHEMBL6246264 0.79 MEN1 (0.44) MAOAMAOBTAAR1CTBP2
SCHEMBL1040588 0.78 NOS2 (0.50) GRIN2BCTBP2
SCHEMBL201554 0.77 CTBP2 (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3483026 0.76 HTR3E (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14282773 0.75 PNMT (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
Acetamide SCHEMBL27451393 0.74 SIGMAR1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
Acetic Acid SCHEMBL28193126 0.74 PNMT (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4781067 0.74 PNMT (0.59) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1848 0.74 ALDH1A1 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2659547 0.73 ALDH1A1 (0.61) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014121036-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 WO disclosed
US-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME DEUTERX, LLC (US) 2014-08-07 US disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 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 (1 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-20140221369-A1 5-DEUTERO-2,4-THIAZOLIDINEDIONE AND 5-DEUTERO-2,4-OXAZOLIDINEDIONE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SRD5A2, PPARD, SRD5A1 HTR3E 992/4885HTR3B 808/4885HTR3A 1730/4885

“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.