SCHEMBL13850508

SCHEMBL13850508

CC(C)n1ccc(N)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
PTGS2 P35354 4/20 0.38
ACACB O00763 1/20 0.37
BRPF1 P55201 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TSHR P16473 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AOC2 O75106 1/20 0.33
ANPEP P15144 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20417810 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HTTALOX15ATM
SCHEMBL25262162 0.79 PTGS2 (0.50) SMN1; SMN2ALDH1A1HTTALOX15ATM
SCHEMBL1106467 0.77 KDM4E (0.39) ALDH1A1PTGS2ACACBAOC2MAPK1
SCHEMBL25160763 0.76 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1HTTALOX15ATM
SCHEMBL12890143 0.75 PTGS2 (0.41) ALDH1A1HTTPTGS2ACACBAOC2
SCHEMBL11317932 0.75 PTGS2 (0.49) SMN1; SMN2ALDH1A1HTTALOX15PTGS2
SCHEMBL17014807 0.75 PTGS2 (0.38) ALDH1A1PTGS2ACACBMAPK1TDP1
SCHEMBL589332 0.75 PTGS2 (0.38) PTGS2ACACBAOC2
SCHEMBL17014806 0.75 PTGS2 (0.41) PTGS2ACACBAOC2ADORA2AADORA1
SCHEMBL20754670 0.75 PTGS2 (0.35) PTGS2ACACBAOC2

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
WO-2018136634-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY (US) 2018-07-26 WO disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP SMN1; SMN2 1490/4885ALDH1A1 1260/4885HTT 4544/4885

“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.