Sugi Predict

Sugi Predict / Compounds / SCHEMBL1464081

SCHEMBL1464081

SCHEMBL1464081

O=C(Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.67
▸ TSHR P16473 3/20 0.67
▸ HTT P42858 3/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ ALDH1A1 P00352 2/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ POLB P06746 4/20 0.66
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ GAA P10253 1/20 0.62
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ MAPT P10636 3/20 0.60
▸ ATM Q13315 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
SCHEMBL27896818 0.88 LMNA (0.71) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL631027 0.87 LMNA (0.70) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL13923614 0.85 LMNA (0.67) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL28226906 0.84 ALDH1A1 (0.77) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL18701879 0.83 LMNA (0.64) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL25787571 0.83 LMNA (0.68) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL12781894 0.82 POLB (0.73) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL6258508 0.82 POLB (0.70) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL6256297 0.82 LMNA (0.71) LMNATSHRHTTNPSR1ALDH1A1
SCHEMBL6255120 0.82 LMNA (0.63) LMNATSHRHTTNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 — — EP disclosed
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 — — CN disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 — — US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 — — US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 — — US disclosed
US-20110071162-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-24 — — US disclosed
US-7863279-B2 Triazolopyridine carboxamide derivatives and triazolopyrimidine carboxamide derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2011-01-04 — — US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 — — EP disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 — — EP disclosed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 — — CN disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 — — EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 — — WO disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 — — WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 — — US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 — — US disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 — — US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 — — US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — 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 (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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 LMNA 4152/4885TSHR 319/4885HTT 4644/4885
US-20110071162-A1 TRIAZOLOPYRIDINE CARBOXAMIDE DERIVATIVES AND TRIAZOLOPYRIMIDINE CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, GLS, GLP1R LMNA 2704/4885TSHR 830/4885HTT 3080/4885
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R LMNA 4674/4885TSHR 128/4885HTT 4631/4885

“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.