SCHEMBL9978324

SCHEMBL9978324

COC(=O)C(C)(Br)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLCG1 P19174 1/20 0.43
KCNN4 O15554 1/20 0.42
BLM P54132 1/20 0.40
CYP2D6 P10635 1/20 0.40
AHR P35869 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
ELANE P08246 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
SRC P12931 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL504847 0.84 PLCG1 (0.51) SMN1; SMN2L3MBTL1PLCG1KCNN4BLM
SCHEMBL28403522 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1PLCG1KCNN4BLM
SCHEMBL11001068 0.83 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1PLCG1KCNN4BLM
SCHEMBL10651815 0.82 LMNA (0.46) SMN1; SMN2L3MBTL1BLMCYP2D6NPSR1
SCHEMBL1027526 0.81 AHR (0.46) SMN1; SMN2L3MBTL1PLCG1KCNN4BLM
SCHEMBL20166133 0.79 AHR (0.47) SMN1; SMN2L3MBTL1PLCG1KCNN4AHR
SCHEMBL10334728 0.79 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1PLCG1KCNN4BLM
SCHEMBL5700780 0.78 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1PLCG1KCNN4BLM
SCHEMBL28535906 0.77 ALDH1A1 (0.43) SMN1; SMN2L3MBTL1PLCG1KCNN4BLM
SCHEMBL9986955 0.76 KDM4E (0.44) SMN1; SMN2NPC1RAB9AMAPTCYP2C19

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 SMN1; SMN2 741/4885L3MBTL1 4688/4885PLCG1 1225/4885
US-20160304536-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 SMN1; SMN2 691/4885L3MBTL1 4646/4885PLCG1 1032/4885

“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.