SCHEMBL2175358

SCHEMBL2175358

NC(=O)Cc1ccccc1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.54
MKNK1 Q9BUB5 7/20 0.49
MKNK2 Q9HBH9 7/20 0.49
KCNH2 Q12809 2/20 0.48
ATR Q13535 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
SARM1 Q6SZW1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
SIRT3 Q9NTG7 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
SIRT4 Q9Y6E7 1/20 0.43
CYP11B1 P15538 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
SCHEMBL29382375 0.94 MKNK1 (0.55) KCNA5MKNK1MKNK2KCNH2PTGS2
SCHEMBL3735688 0.85 KCNA5 (0.59) KCNA5MKNK1MKNK2KCNH2PTGS2
SCHEMBL1547038 0.83 KMT2A (0.56) ATRKMT2A
Hydrochloric Acid SCHEMBL27396597 0.81 KMT2A (0.55) ATRKMT2A
SCHEMBL2555729 0.80 KCNA5 (0.51) KCNA5MKNK1MKNK2KCNH2PTGS2
SCHEMBL3288789 0.80 DPP4 (0.62) KCNA5KCNH2PTGS2CYP2A6ALDH1A1
SCHEMBL9285273 0.80 KCNA5 (0.59) KCNA5KCNH2PTGS2CYP2A6ALDH1A1
Hydrochloric Acid SCHEMBL2456280 0.78 DPP4 (0.60) KCNA5KCNH2PTGS2CYP2A6ALDH1A1
SCHEMBL27343138 0.78 KCNA5 (0.48) KCNA5MKNK1MKNK2KCNH2PTGS2
SCHEMBL7311559 0.78 BCAT2 (0.50) ATRALDH1A1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP KCNA5 2590/4885MKNK1 1868/4885MKNK2 2039/4885

“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.