SCHEMBL10328684

SCHEMBL10328684

O=C(OO)c1ccc(OCC2CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.53
PARP15 Q460N3 5/20 0.53
PARP2 Q9UGN5 2/20 0.53
CYP4F2 P78329 4/20 0.45
CYP4A11 Q02928 4/20 0.45
MCHR1 Q99705 4/20 0.45
BACE1 P56817 1/20 0.41
P4HTM Q9NXG6 1/20 0.40

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
SCHEMBL1173221 0.87 MAPK1 (0.51) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL28707686 0.86 PARP10 (0.62) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL457981 0.84 P4HTM (0.56) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL31681177 0.82 PARP15 (0.49) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL22583269 0.77 PARP10 (0.50) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL20812681 0.76 CNR2 (0.60) MCHR1
SCHEMBL20812228 0.75 CNR2 (0.61) PARP10PARP15PARP2CYP4F2CYP4A11
Nitrous Acid SCHEMBL28713860 0.74 PARP10 (0.48) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL27951296 0.72 ACACB (0.52) PARP10PARP15PARP2CYP4F2CYP4A11
SCHEMBL19405761 0.72 ACACA (0.53) P4HTM

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-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-8729071-B2 Iminothiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2014-05-20 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 US disclosed
US-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME LLC 2012-07-19 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-20120183563-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP PARP10 1996/4885PARP15 755/4885PARP2 1962/4885

“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.