SCHEMBL3459282

SCHEMBL3459282

[CH2]c1cc(NCc2ccccc2)nc(SC)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 1/20 0.44
PPARG P37231 3/20 0.43
NOS2 P35228 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL3459285 0.84 LMNA (0.56) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL12321866 0.82 MEN1 (0.53) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL8075835 0.76 SMN1; SMN2 (0.61) SMN1; SMN2HSD17B10LMNAGAAPPARG
SCHEMBL3461160 0.75 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10KDM4EALDH1A1LMNA
SCHEMBL3461179 0.73 MEN1 (0.39) SMN1; SMN2KDM4ELMNAGAAL3MBTL1
SCHEMBL28736253 0.68 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL3452412 0.68 HRH4 (0.53) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL30811861 0.67 LMNA (0.57) SMN1; SMN2KDM4EALDH1A1HPGDLMNA
SCHEMBL13329877 0.67 LMNA (0.77) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL28202910 0.67 CLK4 (0.47) SMN1; SMN2LMNAGAAL3MBTL1MAPT

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-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 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-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR SMN1; SMN2 2850/4885HSD17B10 3945/4885KDM4E 1347/4885

“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.