SCHEMBL4214931

SCHEMBL4214931

COc1cc(C=CC#N)ccc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 1/20 0.65
▸ TUBB1 Q9H4B7 8/20 0.50
▸ TUBB4A P04350 3/20 0.46
▸ TUBB P07437 3/20 0.46
▸ TUBA3C P0DPH7 3/20 0.46
▸ TUBA1B P68363 3/20 0.46
▸ TUBA4A P68366 3/20 0.46
▸ TUBB4B P68371 3/20 0.46
▸ TUBB3 Q13509 3/20 0.46
▸ TUBB2A Q13885 3/20 0.46
▸ TUBB8 Q3ZCM7 3/20 0.46
▸ TUBA3E Q6PEY2 3/20 0.46
▸ TUBA1A Q71U36 3/20 0.46
▸ TUBA1C Q9BQE3 3/20 0.46
▸ TUBB6 Q9BUF5 3/20 0.46
▸ TUBB2B Q9BVA1 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4214927 1.00 FDPS (0.65) FDPSTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4496391 0.86 FDPS (0.79) FDPSTUBB1TUBB4ATUBBTUBA3C
SCHEMBL4496389 0.86 FDPS (0.79) FDPSTUBB1TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL27720316 0.84 FDPS (0.77) FDPSTUBB1TUBB4ATUBBTUBA3C
SCHEMBL14413750 0.81 FDPS (0.63) FDPSTUBB1TUBB4ATUBBTUBA3C
SCHEMBL12715636 0.81 FDPS (0.63) FDPSTUBB1TUBB4ATUBBTUBA3C
SCHEMBL13681550 0.80 FDPS (0.57) FDPSTUBB1TUBB4ATUBBTUBA3C
SCHEMBL5147276 0.80 KDM4E (0.50) FDPSTUBB1KDM4EALDH1A1KMT2A
SCHEMBL5161207 0.80 KDM4E (0.50) FDPSTUBB1KDM4EALDH1A1KMT2A
SCHEMBL13681551 0.79 FDPS (0.53) FDPSTUBB1TUBB4ATUBBTUBA3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504420-B2 Compounds which inhibit beta-secretase activity and methods of use COMENTIS, INC. (US) 2009-03-17 — — US disclosed
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-07-24 — — US disclosed
EP-1871739-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2008-01-02 — — EP disclosed
US-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use ZAPAQ, INC. (US) 2007-05-24 — — US disclosed
WO-2006110668-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-10-19 — — 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-20070117793-A1 Compounds Which Inhibit Beta-Secretase Activity and Methods of Use BACE1, BACE2, APP FDPS 2006/4885TUBB1 462/4885TUBB4A 772/4885
US-20080176939-A1 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP FDPS 1858/4885TUBB1 618/4885TUBB4A 759/4885

“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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