SCHEMBL1780474

SCHEMBL1780474

O=C(O)c1cnn(-c2cccc(-c3ccccc3OCc3ccc(-c4ccc(C(F)(F)F)nc4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
GUCY1A1 Q02108 11/20 0.45
GUCY1B1 Q02153 11/20 0.45
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 4/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL3995334 0.93 KEAP1 (0.55) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3998260 0.92 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL4000233 0.91 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL1781941 0.91 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3778365 0.91 KEAP1 (0.47) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL4000881 0.90 KEAP1 (0.50) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL1781571 0.90 GUCY1A1 (0.57) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL18334988 0.90 GUCY1A1 (0.38) KEAP1NFE2L2GUCY1A1GUCY1B1
SCHEMBL17948318 0.89 KEAP1 (0.51) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E
SCHEMBL3998724 0.89 RAB9A (0.53) KEAP1NFE2L2GUCY1A1GUCY1B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP claimed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US claimed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US claimed
EP-2197551-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2010-06-23 EP claimed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US claimed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 WO claimed
EP-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-8455638-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
EP-2197551-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2010-06-23 EP disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 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-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 KEAP1 2477/4885NFE2L2 2819/4885GUCY1A1 3/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 KEAP1 2477/4885NFE2L2 2819/4885GUCY1A1 3/4885

“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.