SCHEMBL2030779

SCHEMBL2030779

N#Cc1cc([N+](=O)[O-])ccc1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.57
LMNA P02545 4/20 0.52
HTT P42858 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
EPAS1 Q99814 4/20 0.51
MAPT P10636 3/20 0.51
EYA2 O00167 1/20 0.51
VEGFA P15692 1/20 0.49
PDE7A Q13946 1/20 0.47
PLA2G7 Q13093 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ESRRA P11474 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSPB1 P04792 1/20 0.42
MERTK Q12866 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL11087491 0.89 VCAM1 (0.57) VCAM1LMNAHTTSMN1; SMN2MAPT
SCHEMBL11088409 0.88 VCAM1 (0.60) VCAM1LMNAHTTSMN1; SMN2EPAS1
SCHEMBL2031800 0.86 PPARG (0.52) VCAM1LMNAHTTSMN1; SMN2EPAS1
SCHEMBL3487806 0.84 VCAM1 (0.62) VCAM1LMNAHTTSMN1; SMN2MAPT
SCHEMBL29686243 0.84 VCAM1 (0.62) VCAM1LMNAHTTSMN1; SMN2MAPT
SCHEMBL2028623 0.83 HSPB1 (0.51) VCAM1LMNAHTTSMN1; SMN2EPAS1
SCHEMBL2030047 0.83 ESRRA (0.51) VCAM1LMNAHTTSMN1; SMN2MAPT
SCHEMBL6052442 0.83 VCAM1 (0.53) VCAM1LMNAHTTSMN1; SMN2MAPT
SCHEMBL11096541 0.83 VCAM1 (0.57) VCAM1LMNAHTTSMN1; SMN2EPAS1
SCHEMBL11096315 0.82 VCAM1 (0.60) VCAM1LMNAHTTSMN1; SMN2MAPT

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 22 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-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
US-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 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
EP-0034263-B1 SUBSTITUTED BENZONITRILES AND COMPOSITIONS FOR INHIBITING VIRUSES THE DOW CHEMICAL COMPANY (US) 1984-09-26 EP disclosed
US-4332820-A ESPECIALLY EFFECTIVE AGAINST PICORNOVIRUSES THE DOW CHEMICAL COMPANY (US) 1982-06-01 US disclosed
EP-0034263-A2 Substituted benzonitriles and compositions for inhibiting viruses THE DOW CHEMICAL COMPANY (US) 1981-08-26 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 (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 VCAM1 1654/4885LMNA 3018/4885HTT 1344/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD VCAM1 1654/4885LMNA 3018/4885HTT 1344/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD VCAM1 3511/4885LMNA 1880/4885HTT 3042/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD VCAM1 3553/4885LMNA 1978/4885HTT 3028/4885
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 VCAM1 899/4885LMNA 4462/4885HTT 3812/4885

“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.