SCHEMBL1781994

SCHEMBL1781994

CC(C)(C)OC(=O)c1ccnc(NN)c1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.42
PSMD14 O00487 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GRM6 O15303 1/20 0.35
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
GLA P06280 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL8126889 0.81 ALDH1A1 (0.44) ADRA1AADRA1BALDH1A1KDM4EHPGD
SCHEMBL15390795 0.80 ATR (0.45) ATRPSMD14ADRA1AADRA1BGRM6
SCHEMBL27727269 0.77 ATR (0.51) ATRPSMD14ADRA1AADRA1BGRM6
SCHEMBL8520827 0.76 PPIA (0.43) EGFR
Ammonia Solution, Strong SCHEMBL28841959 0.76 ATR (0.53) ATRADRA1AADRA1BGRM6ALDH1A1
SCHEMBL28482224 0.75 ALDH1A1 (0.36) ATRALDH1A1CA12CA1CA2
SCHEMBL22750385 0.75 ATR (0.40) ATRADRA1AADRA1BGRM6ALDH1A1
SCHEMBL3889923 0.73 ATR (0.65) ATRPSMD14ALDH1A1KDM4EGLA
SCHEMBL28764744 0.72 ATR (0.39) ATRADRA1AADRA1BGRM6ALDH1A1
SCHEMBL6261311 0.72 ATR (0.43) ATRADRA1AADRA1BGRM6ALDH1A1

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 ATR 3675/4885PSMD14 4797/4885ADRA1A 144/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 ATR 3675/4885PSMD14 4797/4885ADRA1A 144/4885

“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.