SCHEMBL1890976

SCHEMBL1890976

COc1ccc(CNS(=O)(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.64
ALDH1A1 P00352 5/20 0.62
MAPT P10636 3/20 0.60
GAA P10253 1/20 0.60
RECQL P46063 1/20 0.60
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.54
NSD2 O96028 1/20 0.52
AKR1C3 P42330 1/20 0.52

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
SCHEMBL4104329 0.86 CYP19A1 (0.82) CYP19A1ALDH1A1GAARECQLLMNA
SCHEMBL3914871 0.83 ALDH1A1 (0.76) CYP19A1ALDH1A1MAPTGAALMNA
SCHEMBL31113741 0.83 KEAP1 (0.69) CYP19A1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1858605 0.83 KEAP1 (0.69) CYP19A1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL3659182 0.83 ALDH1A1 (0.88) CYP19A1ALDH1A1LMNATSHRHTT
SCHEMBL29285993 0.83 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL30989152 0.83 CYP19A1 (0.63) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL6102821 0.83 ALDH1A1 (0.68) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL28156680 0.80 MEN1 (0.71) CYP19A1ALDH1A1MAPTGAARECQL
SCHEMBL9942089 0.80 POLB (0.73) CYP19A1ALDH1A1MAPTRECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367801-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS Wyeth LLC (US) 2011-09-28 EP disclosed
US-20110112135-A1 Imidazo [1,2-A] Pyridine Compounds WYETH LLC 2011-05-12 US disclosed
US-20110112135-A1 Imidazo [1,2-A] Pyridine Compounds WYETH LLC 2011-05-12 US disclosed
EP-2231660-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP disclosed
US-20100184786-A1 Polar Quinazolines WYETH LLC (US) 2010-07-22 US disclosed
WO-2010059627-A1 POLAR QUINAZOLINES AS LIVER X RECEPTORS ( LXRS ) MODULATORS WYETH LLC (US) 2010-05-27 WO disclosed
WO-2009086123-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
WO-2009086123-A1 IMIDAZO [1,2-A] PYRIDINE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 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 (2 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-20110112135-A1 Imidazo [1,2-A] Pyridine Compounds NR1H2, NR1H3, NR1H4 CYP19A1 153/4885ALDH1A1 740/4885MAPT 4404/4885
US-20100184786-A1 Polar Quinazolines NR1H3, NR1H2, NR1I3 CYP19A1 355/4885ALDH1A1 3991/4885MAPT 4302/4885

“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.