SCHEMBL1949201

SCHEMBL1949201

CC1(Cc2cc(F)cc(F)c2F)C(=O)NCc2ccc(-c3cccc(Oc4ccccc4)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 3/20 0.35
▸ PIK3CD O00329 2/20 0.34
▸ OTUD7B Q6GQQ9 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ TYRO3 Q06418 1/20 0.32
▸ NTRK2 Q16620 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ PRMT5 O14744 2/20 0.31
▸ WDR77 Q9BQA1 2/20 0.31
▸ CAMK2D Q13557 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
SCHEMBL1950759 0.87 PGR (0.41) PGRPIK3CDOTUD7BEPHX2ADAM17
SCHEMBL1949380 0.87 BACE1 (0.36) PGRPIK3CDPRMT5WDR77
SCHEMBL1949161 0.83 PARP10 (0.41) PGR
SCHEMBL1948941 0.81 PGR (0.41) PGRCLK4
SCHEMBL1950191 0.79 EPHX2 (0.43) PGRPIK3CDOTUD7BEPHX2FFAR4
SCHEMBL1948947 0.77 AKR1B1 (0.34) —
SCHEMBL1951020 0.75 OTUD7B (0.40) PGROTUD7B
SCHEMBL1952174 0.73 BACE1 (0.38) PGRPIK3CDEPHX2
SCHEMBL12548970 0.73 PTGS2 (0.37) PGRPIK3CDFFAR1
SCHEMBL12548973 0.72 BACE1 (0.41) FFAR1PRMT5WDR77

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
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US claimed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — US disclosed
US-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers MERCK SHARP & DOHME CORP. 2011-06-09 — — 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 (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-20110136842-A1 Substituted Dihydroisoquinolinone and Isoquinolinedione Derivatives as Calcium Channel Blockers CACNA1D, TRPV1, CACNA1S PGR 4650/4885PIK3CD 1721/4885OTUD7B 592/4885

“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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