SCHEMBL13889793

SCHEMBL13889793

CCn1ccnc(N2CCN(C/C(C)=C/c3ccccc3)CC2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.55
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 6/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.39
OPRK1 P41145 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL13307028 0.89 TSHR (0.52) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13306870 0.88 TSHR (0.51) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13306949 0.87 TSHR (0.50) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13306872 0.87 TSHR (0.50) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13307014 0.86 USP2 (0.49) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13307016 0.86 SMN1; SMN2 (0.52) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13889591 0.85 TSHR (0.47) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13306868 0.84 ALDH1A1 (0.48) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13889594 0.79 ALDH1A1 (0.46) TSHRSMN1; SMN2USP2ALOX15ALDH1A1
SCHEMBL13404501 0.78 HTR3E (0.54) TSHRALDH1A1KDM4EMEN1KMT2A

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-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 2075/4885SMN1; SMN2 432/4885USP2 4796/4885

“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.