SCHEMBL13889591

SCHEMBL13889591

C/C(=C\c1ccccc1)CN1CCN(c2nccn(Cc3ccc(O)s3)c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 6/20 0.41
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
ADRA2A P08913 3/20 0.35
ADRA2C P18825 3/20 0.35
SLC6A4 P31645 3/20 0.35
ADRA2B P18089 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13306868 0.90 ALDH1A1 (0.48) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13889793 0.85 TSHR (0.55) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307028 0.82 TSHR (0.52) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307016 0.81 SMN1; SMN2 (0.52) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306870 0.81 TSHR (0.51) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306949 0.80 TSHR (0.50) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306872 0.80 TSHR (0.50) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13307014 0.80 USP2 (0.49) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13306861 0.72 TSHR (0.57) TSHRUSP2ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13404432 0.69 ADRA1D (0.44)

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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 TSHR 2075/4885USP2 4796/4885ALOX15 1608/4885

“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.