SCHEMBL13499249

SCHEMBL13499249

C/C(=C\c1ccccc1)CN1CCC(n2ncn(-c3ccc(C#N)cc3)c2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
USP14 P54578 2/20 0.38
POLB P06746 1/20 0.37
USP5 P45974 1/20 0.36
USP7 Q93009 1/20 0.36

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 0.89 TSHR (0.47) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13499256 0.87 KDM4E (0.46) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13499449 0.86 KDM4E (0.45) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13499448 0.83 KDM4E (0.42) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13499337 0.78 KCNA5 (0.47) MEN1KMT2A
SCHEMBL13499374 0.73 TSHR (0.45) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13499247 0.73 CYP11B2 (0.43) ALOX15ALDH1A1TDP1MEN1KMT2A
SCHEMBL13499255 0.71 TSHR (0.47) TSHRUSP2ALOX15SMN1; SMN2KDM4E
SCHEMBL13499245 0.71 GPR119 (0.55)
SCHEMBL13499270 0.71 KDM4E (0.47) TSHRUSP2ALOX15SMN1; SMN2KDM4E

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 TSHR 937/4885USP2 4507/4885ALOX15 1742/4885

“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.