SCHEMBL1780193

SCHEMBL1780193

O=C(O)c1cnn(-c2cncc(-c3cc(Cl)ccc3OCc3ccc(C4CCC(C(F)(F)F)CC4)cc3)n2)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 12/20 0.44
GUCY1B1 Q02153 12/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PTGER1 P34995 4/20 0.37
CYP2C9 P11712 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CRHBP P24387 1/20 0.35
MC4R P32245 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL1781338 1.00 GUCY1A1 (0.44) GUCY1A1GUCY1B1MEN1KMT2ANPC1
SCHEMBL12603771 1.00 GUCY1A1 (0.44) GUCY1A1GUCY1B1MEN1KMT2ANPC1
SCHEMBL1780191 1.00 GUCY1A1 (0.44) GUCY1A1GUCY1B1MEN1KMT2ANPC1
SCHEMBL6853886 0.92 GUCY1A1 (0.53) GUCY1A1GUCY1B1PTGER1KEAP1NFE2L2
SCHEMBL1781761 0.92 GUCY1A1 (0.53) GUCY1A1GUCY1B1PTGER1KEAP1NFE2L2
SCHEMBL12603767 0.92 GUCY1A1 (0.53) GUCY1A1GUCY1B1PTGER1KEAP1NFE2L2
SCHEMBL1781763 0.92 GUCY1A1 (0.53) GUCY1A1GUCY1B1PTGER1KEAP1NFE2L2
SCHEMBL1781798 0.92 GUCY1A1 (0.53) GUCY1A1GUCY1B1PTGER1KEAP1NFE2L2
SCHEMBL1780327 0.91 GUCY1A1 (0.47) GUCY1A1GUCY1B1MEN1KMT2ACYP2C9
SCHEMBL1780330 0.91 GUCY1A1 (0.47) GUCY1A1GUCY1B1MEN1KMT2ACYP2C9

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-2197551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-12-28 EP 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-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
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 GUCY1A1 3/4885GUCY1B1 1/4885MEN1 1567/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 GUCY1A1 3/4885GUCY1B1 1/4885MEN1 1567/4885

“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.