SCHEMBL4574800

SCHEMBL4574800

COc1ccc(CCNc2cc(C)ccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK10 P53779 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 3/20 0.56
KDM4E B2RXH2 3/20 0.52
TP53 P04637 2/20 0.51
PTGDR Q13258 4/20 0.51
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
NR3C2 P08235 1/20 0.49

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
SCHEMBL8422251 0.85 MEN1 (0.68) SMN1; SMN2HTTALDH1A1MAPK10L3MBTL1
SCHEMBL31240707 0.84 CYP1A2 (0.58) SMN1; SMN2HTTCYP3A4CYP1A2CYP2D6
SCHEMBL4574655 0.79 CYP1A2 (0.66) SMN1; SMN2HTTCYP3A4CYP1A2CYP2D6
SCHEMBL4575173 0.78 MAPT (0.61) SMN1; SMN2HTTCYP3A4CYP1A2CYP2D6
SCHEMBL7505406 0.77 HTR1A (0.67) SMN1; SMN2HTTCYP3A4CYP1A2CYP2D6
SCHEMBL26238933 0.76 MEN1 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL2130310 0.75 NOS2 (0.53) SMN1; SMN2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL19611852 0.74 SMN1; SMN2 (0.55) SMN1; SMN2HTTCYP3A4CYP1A2CYP2D6
SCHEMBL11961829 0.73 NOS2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8277611 0.73 SMN1; SMN2 (0.51) SMN1; SMN2HTTCYP1A2CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD SMN1; SMN2 3258/4885HTT 798/4885CYP3A4 372/4885

“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.