SCHEMBL4513642

SCHEMBL4513642

CCCc1c(CC)ccc2cc(C(=O)Nc3ccc(C(C)(C)N)cc3)c(=O)oc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.48
MAOB P27338 3/20 0.45
MAOA P21397 1/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42
F12 P00748 5/20 0.41
PLEC Q15149 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4517802 0.90 S1PR1 (0.51) S1PR1MAOBMAOAMAPTNPC1
SCHEMBL3997597 0.87 S1PR1 (0.46) S1PR1MAOBMAOAMAPTNPC1
SCHEMBL3885669 0.87 S1PR1 (0.64) S1PR1MAOBMAOAMAPTPOLB
SCHEMBL3882446 0.87 MAOA (0.51) S1PR1MAOBMAOAMAPTNPC1
SCHEMBL4534562 0.87 S1PR1 (0.54) S1PR1MAOBMAOAMAPTNPC1
SCHEMBL3947945 0.86 S1PR1 (0.53) S1PR1MAOBMAOAMAPTPOLB
SCHEMBL3947827 0.84 S1PR1 (0.51) S1PR1MAOBMAOAMAPTTP53
SCHEMBL3879717 0.84 S1PR1 (0.51) S1PR1MAOBMAOAMAPTPOLB
SCHEMBL4522924 0.83 MAOB (0.49) S1PR1MAOBMAOAMAPTNPC1
SCHEMBL3882544 0.83 S1PR1 (0.54) S1PR1MAOBMAOAMAPTKDM4E

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-20090318546-A1 Chromen-2-One Derivatives NOVARTIS AG (CH) 2009-12-24 US claimed

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-20090318546-A1 Chromen-2-One Derivatives CYP1A2, CYP4B1, CYP1B1 S1PR1 3084/4885MAOB 1375/4885MAOA 1782/4885

“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.