Sugi Predict

Sugi Predict / Compounds / SCHEMBL1997355

SCHEMBL1997355

SCHEMBL1997355

O=[N+]([O-])c1ccc(Oc2cnc3ccccc3c2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ ALDH1A1 P00352 7/20 0.55
▸ PDE7A Q13946 1/20 0.54
▸ CYP3A4 P08684 3/20 0.52
▸ PPARG P37231 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPT P10636 6/20 0.48
▸ LMNA P02545 4/20 0.48
▸ GAA P10253 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL633458 0.85 PPARG (0.57) KMT2AMEN1ALDH1A1CYP3A4PPARG
SCHEMBL9800655 0.84 KMT2A (0.64) KMT2AMEN1ALDH1A1PDE7ACYP3A4
SCHEMBL3802331 0.83 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1CYP3A4PPARG
SCHEMBL6725914 0.82 PDE7A (0.66) KMT2AMEN1ALDH1A1PDE7ACYP3A4
SCHEMBL18796268 0.81 TLR8 (0.48) KMT2AMEN1ALDH1A1CYP3A4PPARG
SCHEMBL1994213 0.80 PPARG (0.52) ALDH1A1CYP3A4PPARGMAPTLMNA
SCHEMBL4029870 0.79 PDE7A (0.73) KMT2AMEN1ALDH1A1PDE7ACYP3A4
SCHEMBL2000772 0.78 PPARG (0.54) ALDH1A1CYP3A4PPARGKDM4EMAPT
SCHEMBL18796241 0.78 HTT (0.63) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL30050124 0.76 PDE7A (0.52) KMT2AMEN1ALDH1A1PDE7ACYP3A4

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 23 patents — showing the first 20. 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-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 — — 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-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 — — US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 — — US disclosed
US-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 — — US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 — — EP disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 — — EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 — — US disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 — — US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 — — US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 — — US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 — — US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 — — US disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 — — EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 — — US disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 — — EP disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 — — WO 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 (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-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD KMT2A 3800/4885MEN1 4082/4885ALDH1A1 1672/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD KMT2A 4027/4885MEN1 4867/4885ALDH1A1 1831/4885
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD KMT2A 2448/4885MEN1 4858/4885ALDH1A1 3157/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD KMT2A 3971/4885MEN1 4871/4885ALDH1A1 1739/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD KMT2A 2448/4885MEN1 4858/4885ALDH1A1 3157/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD KMT2A 2448/4885MEN1 4858/4885ALDH1A1 3157/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD KMT2A 2222/4885MEN1 4860/4885ALDH1A1 3192/4885

“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.