SCHEMBL2887664

SCHEMBL2887664

CCOC(=O)c1n[nH]c(I)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.47
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
MAPK10 P53779 1/20 0.37
PDE4A P27815 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
SCHEMBL15498679 0.81 PDE4D (0.50) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL10602243 0.80 PDE4D (0.49) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL2534433 0.79 PDE4D (0.47) PDE4DCYP1A2KDM4EKMT2AMAPT
SCHEMBL11431099 0.79 PDE4D (0.47) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL28661103 0.79 PDE4D (0.47) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL17619378 0.79 PDE4D (0.51) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL352579 0.78 CYP1A2 (0.54) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL2578827 0.76 PDE4D (0.45) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL5906779 0.76 PDE4D (0.45) PDE4DCYP1A2KDM4EKMT2APOLB
SCHEMBL31084629 0.75 PDE4D (0.44) PDE4DCYP1A2KDM4EKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
EP-2086324-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 PDE4D 4507/4885CYP1A2 93/4885KDM4E 2061/4885

“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.