SCHEMBL1999757

SCHEMBL1999757

Cc1ccc2sc(Cc3ccc([N+](=O)[O-])cc3Cl)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 8/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PTPN1 P18031 1/20 0.39
ACP1 P24666 1/20 0.39
HSD17B10 Q99714 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MAPK1 P28482 1/20 0.38
AKR1A1 P14550 1/20 0.38
AKR1B1 P15121 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2000566 0.88 LOXL2 (0.49) RIPK1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL2001086 0.86 RIPK1 (0.39) RIPK1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL1995083 0.85 MAPT (0.53) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL1996820 0.84 AKR1B1 (0.48) RIPK1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL1996987 0.80 MAPT (0.49) SMN1; SMN2HTTMAPTKMT2AMEN1
SCHEMBL1996539 0.77 PTPN1 (0.47) RIPK1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL2001919 0.74 LOXL2 (0.51) RIPK1SMN1; SMN2ALDH1A1MMP13AKR1B1
SCHEMBL3203107 0.72 RIPK1 (0.51) RIPK1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL201882 0.71 RIPK1 (0.52) RIPK1SMN1; SMN2HTTMAPTKMT2A
SCHEMBL9642062 0.71 RIPK1 (0.55) RIPK1SMN1; SMN2HTTMAPTKMT2A

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 27 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-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
CN-1438998-A Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2003-08-27 CN 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
CN-1368961-A Compounds that modulate PPAR γ activity TULARIK INC (US) 2002-09-11 CN 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 (6 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 RIPK1 2276/4885SMN1; SMN2 4643/4885HTT 1344/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD RIPK1 4041/4885SMN1; SMN2 4237/4885HTT 3042/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD RIPK1 3961/4885SMN1; SMN2 4250/4885HTT 3028/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD RIPK1 1567/4885SMN1; SMN2 4885/4885HTT 278/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD RIPK1 1567/4885SMN1; SMN2 4885/4885HTT 278/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD RIPK1 1194/4885SMN1; SMN2 4885/4885HTT 256/4885

“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.