SCHEMBL966675

SCHEMBL966675

Nc1cccc([C@]23COC[C@H]2CSC(NC(=O)c2ccccc2)=N3)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.49
KCNH2 Q12809 4/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL18192811 1.00 BACE1 (0.49) BACE1KCNH2BACE2CYP1A2MAPT
SCHEMBL968571 0.89 BACE1 (0.45) BACE1KCNH2BACE2MAPTNPC1
SCHEMBL18192813 0.89 BACE1 (0.45) BACE1KCNH2BACE2MAPTNPC1
SCHEMBL18192807 0.88 BACE1 (0.49) BACE1KCNH2BACE2HDAC1
SCHEMBL18192914 0.84 BACE1 (0.44) BACE1KCNH2BACE2
SCHEMBL18192945 0.84 BACE1 (0.44) BACE1KCNH2BACE2
SCHEMBL969139 0.84 BACE1 (0.53) BACE1KCNH2BACE2
SCHEMBL18192820 0.84 BACE1 (0.42) BACE1KCNH2BACE2HDAC1
SCHEMBL14299099 0.84 BACE1 (0.42) BACE1KCNH2BACE2HDAC1
SCHEMBL16027252 0.83 BACE1 (0.46) BACE1KCNH2CYP1A2MAPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
EP-2451793-B1 BACE INHIBITORS LILLY CO ELI (US) 2016-11-02 EP disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-20120323001-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2012-12-20 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-8278441-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2012-10-02 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
US-20110009395-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 US disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 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 (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-20120323001-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885KCNH2 3088/4885BACE2 2/4885
US-20110009395-A1 BACE INHIBITORS BACE1, BACE2, APP BACE1 1/4885KCNH2 3088/4885BACE2 2/4885

“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.