SCHEMBL1780774

SCHEMBL1780774

N#Cc1cc(Br)ccc1C(F)(F)Br

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
AR P10275 13/20 0.36
SLC1A5 Q15758 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
CHEK1 O14757 1/20 0.33

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
SCHEMBL30945197 0.88 AR (0.43) ARSLC22A12
SCHEMBL662161 0.88 AR (0.43) ARSLC22A12
SCHEMBL21994516 0.85 MAOB (0.36) MAOBMAOAARSLC1A5SLC22A12
SCHEMBL15716096 0.80 MAOB (0.38) MAOBMAOAARSLC1A5CHEK1
SCHEMBL17157519 0.77 MAOB (0.36) MAOBMAOAARSLC1A5CHEK1
SCHEMBL1226983 0.76 AR (0.56) AR
SCHEMBL18212168 0.74 KIF11 (0.54) ARSLC22A12
SCHEMBL1395661 0.73 MAOB (0.61) MAOBMAOASLC1A5CHEK1
SCHEMBL30475151 0.73 MAOB (0.61) MAOBMAOASLC1A5CHEK1
SCHEMBL80153 0.72 TRPV4 (0.43) MAOBMAOAARSLC1A5CHEK1

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 4 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 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-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US 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 MAOB 606/4885MAOA 609/4885AR 1646/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 MAOB 606/4885MAOA 609/4885AR 1646/4885

“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.