SCHEMBL16795991

SCHEMBL16795991

COC(=O)C(c1ccccc1)(c1ccc(F)cc1)C(C#N)C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ CTSL P07711 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ KCNE1 P15382 1/20 0.37
▸ KCNQ1 P51787 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL16795993 0.78 SMN1; SMN2 (0.40) KCNN4SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL9978258 0.75 KCNN4 (0.51) KCNN4KDM4EMAPTCTSLKMT2A
SCHEMBL18263956 0.73 CACNA1G (0.36) CTSL
SCHEMBL28679222 0.73 CCR1 (0.41) KCNN4SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL28682042 0.72 KCNN4 (0.45) KCNN4SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL27564046 0.72 KCNN4 (0.60) KCNN4GAAMAPTNPC1KIF11
SCHEMBL28671599 0.70 KCNN4 (0.40) KCNN4LMNANPSR1NPC1KIF11
SCHEMBL17765339 0.70 CTSL (0.40) KCNN4SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL17318022 0.69 MAPT (0.42) SMN1; SMN2ALDH1A1GAAKDM4EMAPT
SCHEMBL11460269 0.69 KCNN4 (0.60) KCNN4ALDH1A1GAAMAPTLMNA

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
EP-3079700-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2020-11-25 — — EP disclosed
US-9783552-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2017-10-10 — — US disclosed
US-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 — — US disclosed
EP-3079700-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2016-10-19 — — EP disclosed
WO-2015088886-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2015-06-18 — — 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-20160304537-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, PRKG1 KCNN4 2030/4885SMN1; SMN2 691/4885ALDH1A1 981/4885

“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.

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