SCHEMBL2201069

SCHEMBL2201069

c1ccc2oc(N3CC[N]CC3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.54
HTR3A P46098 1/20 0.54
SORD Q00796 2/20 0.53
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
HCAR2 Q8TDS4 1/20 0.48
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
KCNH2 Q12809 1/20 0.47
CRBN Q96SW2 1/20 0.47
ELANE P08246 1/20 0.46
NAAA Q02083 1/20 0.46
PHGDH O43175 1/20 0.46

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
SCHEMBL5216876 0.94 LMNA (0.49) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL31472604 0.86 ELANE (0.61) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL30903262 0.86 ELANE (0.57) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL5021493 0.86 ELANE (0.61) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL5021503 0.84 ELANE (0.62) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL1713373 0.84 SORD (0.55) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL2624458 0.84 SORD (0.58) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL1981175 0.84 ELANE (0.62) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL21979404 0.83 ELANE (0.63) CHRNA7HTR3ASORDGAAKMT2A
SCHEMBL195554 0.81 HTR6 (0.53) CHRNA7HTR3ASORDGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
EP-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 CHRNA7 2907/4885HTR3A 2333/4885SORD 1679/4885

“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.