SCHEMBL2031059

SCHEMBL2031059

CC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1nc2cc(C)ccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ MAPT P10636 7/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 5/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CTSD P07339 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PPARA Q07869 6/20 0.39
▸ USP7 Q93009 2/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL2029836 0.91 PPARA (0.47) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2032129 0.87 ALOX5 (0.44) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12584984 0.86 PDK1 (0.41) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2030012 0.83 DYRK1A (0.42) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12584969 0.81 PDK1 (0.45) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5713084 0.80 MAPT (0.40) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12585014 0.78 SMN1; SMN2 (0.49) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2030964 0.78 MAPT (0.46) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL7496577 0.77 PDK1 (0.40) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2035697 0.77 SCD (0.44) MEN1KMT2AMAPTSMN1; SMN2LMNA

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 13 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-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-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
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 (5 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 MEN1 4082/4885KMT2A 3800/4885MAPT 708/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD MEN1 4082/4885KMT2A 3800/4885MAPT 708/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD MEN1 4867/4885KMT2A 4027/4885MAPT 4694/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD MEN1 4871/4885KMT2A 3971/4885MAPT 4679/4885
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 MEN1 4881/4885KMT2A 1896/4885MAPT 3839/4885

“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.

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