SCHEMBL9987530

SCHEMBL9987530

COC(=O)C(C)(Br)c1nc(C)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 4/20 0.38
CNR2 P34972 1/20 0.36
HDAC4 P56524 4/20 0.32
HDAC6 Q9UBN7 3/20 0.32
KMT2A Q03164 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MEN1 O00255 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
GUCY1B2 O75343 1/20 0.31
GUCY1A2 P33402 1/20 0.31
GUCY1A1 Q02108 1/20 0.31

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
SCHEMBL9986968 0.73 CTSL (0.32) PTPRBCNR2SMN1; SMN2
SCHEMBL9980512 0.70 CYP2C19 (0.35) CNR2KMT2AMEN1OPRM1OPRD1
SCHEMBL3430267 0.69 PTPRB (0.35) PTPRBCNR2HDAC4HDAC6HDAC3
SCHEMBL20320353 0.69 MAPT (0.32) PTPRBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL3430970 0.68 PTPRB (0.35) PTPRBCNR2HDAC4HDAC6HDAC3
SCHEMBL18214807 0.68 PTPRB (0.36) PTPRBCNR2MAPTCYP2C9CYP2C19
SCHEMBL9980378 0.67 MEN1 (0.33) KMT2AMEN1OPRM1OPRD1
SCHEMBL9980407 0.67 CYP2C19 (0.32) KMT2AHDAC3MEN1CYP2C19KCNN4
SCHEMBL13095297 0.65 PTPRB (0.33) PTPRBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL13528448 0.65 LMNA (0.37) PTPRBHDAC4HDAC6HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079701-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
US-9611278-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-04-04 US disclosed
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 US disclosed
EP-3079701-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 EP disclosed
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
WO-2015088885-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 WO 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 (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-20130072492-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, PDE2A PTPRB 2400/4885CNR2 1438/4885HDAC4 4203/4885
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 PTPRB 2202/4885CNR2 1537/4885HDAC4 4226/4885

“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.