SCHEMBL2033404

SCHEMBL2033404

O=[N+]([O-])c1ccc(Oc2cncc(Cl)c2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
PPARG P37231 1/20 0.43
PIN1 Q13526 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MERTK Q12866 2/20 0.39
PDE7A Q13946 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCR2 P41597 1/20 0.39
INPPL1 O15357 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL9192519 0.84 MAPK1 (0.62) TSHRMAPK1PIN1TDP1HTT
SCHEMBL4696859 0.82 TDP1 (0.46) PPARGPIN1TDP1HTTALDH1A1
SCHEMBL2030261 0.82 LMNA (0.59) TSHRMAPK1PIN1TDP1HTT
SCHEMBL4694752 0.81 HSPB1 (0.51) MAPK1PPARGHTTALDH1A1PDE7A
SCHEMBL10714746 0.77 MEN1 (0.54) TSHRMAPK1PIN1TDP1ALDH1A1
SCHEMBL4693866 0.77 HPGD (0.55) TDP1HTTALDH1A1PDE7ACYP2C9
SCHEMBL2084079 0.77 LMNA (0.54) TSHRTDP1HTTALDH1A1LMNA
SCHEMBL11152258 0.76 TSHR (0.61) TSHRMAPK1PIN1TDP1HTT
SCHEMBL9362733 0.76 TSHR (0.51) TSHRMAPK1TDP1HTTALDH1A1
SCHEMBL2933011 0.76 NOS1 (0.52) TSHRMAPK1PIN1TDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 US disclosed
US-20050250820-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2005-11-10 US disclosed
WO-2005086904-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY AMGEN INC. (US) 2005-09-22 WO disclosed
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine TULARIK INC. 2004-12-09 US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 US disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 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 (4 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-20050250820-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD TSHR 653/4885MAPK1 2311/4885PPARG 1/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD TSHR 645/4885MAPK1 2885/4885PPARG 1/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD TSHR 721/4885MAPK1 2965/4885PPARG 1/4885
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine PPARD, PPARG, PPARA TSHR 2689/4885MAPK1 1937/4885PPARG 2/4885

“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.