SCHEMBL13499271

SCHEMBL13499271

C/C(=C\c1ccccc1)CN1CCC(n2cnn(CCOS(C)(=O)=O)c2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
ADRA2A P08913 3/20 0.34
ADRA2C P18825 3/20 0.34
SLC6A4 P31645 3/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 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
SCHEMBL13499270 0.85 KDM4E (0.47) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499468 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499269 0.82 KDM4E (0.56) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499476 0.80 ALDH1A1 (0.42) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499482 0.80 TSHR (0.43) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499349 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499255 0.76 TSHR (0.47) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499419 0.76 KDM4E (0.44) KDM4EALDH1A1HPGDTSHRMEN1
SCHEMBL13499251 0.75 TSHR (0.51) KDM4EALDH1A1HPGDTSHRUSP2
SCHEMBL13499257 0.74 KDM4E (0.46) KDM4EALDH1A1HPGDTSHRUSP2

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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 KDM4E 3793/4885ALDH1A1 813/4885HPGD 793/4885

“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.