SCHEMBL13499252

SCHEMBL13499252

CCOC(=O)c1ccc(-n2cnn(C3CCN(C/C(C)=C/c4ccccc4)CC3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
TSHR P16473 5/20 0.43
USP2 O75604 2/20 0.43
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
P2RX3 P56373 1/20 0.41

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
SCHEMBL13499359 0.85 TSHR (0.47) KDM4ETSHRUSP2ALOX15ALDH1A1
SCHEMBL13499249 0.83 TSHR (0.45) KDM4ETSHRUSP2ALOX15ALDH1A1
SCHEMBL13499449 0.83 KDM4E (0.45) KDM4ETSHRUSP2ALOX15ALDH1A1
SCHEMBL13499343 0.82 LTA4H (0.46) KDM4E
SCHEMBL13499448 0.79 KDM4E (0.42) KDM4ETSHRUSP2ALOX15ALDH1A1
SCHEMBL13499269 0.76 KDM4E (0.56) KDM4ETSHRUSP2ALOX15ALDH1A1
SCHEMBL13499254 0.75 KDM4E (0.44) KDM4ETSHRUSP2ALOX15ALDH1A1
SCHEMBL13499419 0.72 KDM4E (0.44) KDM4ETSHRALDH1A1HPGDMEN1
SCHEMBL13499374 0.70 TSHR (0.45) KDM4ETSHRUSP2ALOX15ALDH1A1
SCHEMBL13307246 0.68 KDM4E (0.42) KDM4ETSHRUSP2ALOX15ALDH1A1

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 3793/4885TSHR 937/4885USP2 4507/4885

“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.