SCHEMBL9980378

SCHEMBL9980378

COC(=O)C(C)(Br)c1nc(CBr)co1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.30

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
SCHEMBL18982267 0.77 MEN1 (0.36) MEN1OPRM1OPRD1KMT2A
SCHEMBL30740769 0.71 DAGLA (0.39) MEN1KMT2A
SCHEMBL18999251 0.71 CYP1A2 (0.31) DGAT1
SCHEMBL21366519 0.69 KDM4E (0.36) MEN1KMT2A
SCHEMBL9987530 0.67 PTPRB (0.38) MEN1OPRM1OPRD1KMT2A
SCHEMBL9980407 0.67 CYP2C19 (0.32) MEN1KMT2A
SCHEMBL19006348 0.65 MEN1 (0.39) MEN1OPRM1OPRD1KMT2ADGAT1
SCHEMBL9980512 0.64 CYP2C19 (0.35) MEN1OPRM1OPRD1KMT2ADGAT1
SCHEMBL19006272 0.63 DAO (0.33) MEN1OPRM1OPRD1KMT2ADGAT1
SCHEMBL21366516 0.62 HDAC4 (0.38) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365574-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
EP-2575473-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-01-20 EP disclosed
EP-2575473-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2013-04-10 EP disclosed
US-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-03-21 US disclosed
WO-2011149921-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2011-12-01 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 (1 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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A MEN1 1179/4885OPRM1 3156/4885OPRD1 2858/4885

“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.