SCHEMBL13625150

SCHEMBL13625150

NCNc1nc(N2CCCCC2)nc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL778367 0.83 TSHR (0.59) HTTALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL8885835 0.80 TSHR (0.69) HTTALDH1A1KDM4ETSHRGAA
SCHEMBL13625149 0.79 SMN1; SMN2 (0.58) ALDH1A1KDM4EMAPK1LMNAMEN1
SCHEMBL14503351 0.79 LMNA (0.62) HTTALDH1A1KDM4ETSHRLMNA
SCHEMBL15836257 0.78 TSHR (0.58) HTTALDH1A1KDM4ETSHRGAA
SCHEMBL28769756 0.77 LMNA (0.67) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL4132657 0.76 LMNA (0.76) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL14503998 0.76 ALDH1A1 (0.53) HTTALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL1443735 0.74 LMNA (0.61) HTTALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL8054495 0.73 ALDH1A1 (0.78) HTTALDH1A1KDM4EMAPK1TSHR

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-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers MCA TECHNOLOGIES GMBH (CH) 2009-11-12 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-20090281215-A1 Polytriazinyl Compounds as Flame Retardants and Light Stabilizers PSMB5, POLL, F12 HTT 2832/4885ALDH1A1 2014/4885KDM4E 1945/4885

“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.