SCHEMBL13499448

SCHEMBL13499448

C/C(=C\c1ccccc1)CN1CCC(n2ncn(-c3ccc(CN4C(=O)c5ccccc5C4=O)cc3)c2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
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
ALDH1A1 P00352 5/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL13499256 0.87 KDM4E (0.46) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499449 0.86 KDM4E (0.45) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499359 0.85 TSHR (0.47) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499249 0.83 TSHR (0.45) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499349 0.72 KDM4E (0.46) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499257 0.70 KDM4E (0.46) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499454 0.70 TSHR (0.43) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499374 0.70 TSHR (0.45) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499251 0.69 TSHR (0.51) KDM4ETSHRUSP2ALOX15SMN1; SMN2
SCHEMBL13499419 0.68 KDM4E (0.44) KDM4ETSHRALDH1A1HPGDMEN1

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 1 patent. 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

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.