SCHEMBL3879005

SCHEMBL3879005

COc1ccc2cc(C(=O)Nc3ccc(CN)cc3)c(=O)oc2c1CCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
MAPT P10636 1/20 0.56
S1PR1 P21453 5/20 0.53
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
KLKB1 P03952 2/20 0.47
CNR2 P34972 2/20 0.45
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLG P00747 1/20 0.44
KLK1 P06870 1/20 0.44
KLK6 Q92876 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
SCHEMBL3882652 0.91 TP53 (0.58) TP53MAPTS1PR1MAOAMAOB
SCHEMBL3892055 0.90 TP53 (0.59) TP53MAPTS1PR1MAOAMAOB
SCHEMBL3880659 0.90 S1PR1 (0.65) TP53MAPTS1PR1MAOAMAOB
SCHEMBL3885775 0.89 TP53 (0.52) TP53MAPTS1PR1MAOAMAOB
SCHEMBL3883450 0.88 S1PR1 (0.52) TP53MAPTS1PR1MAOAMAOB
SCHEMBL3882377 0.88 S1PR1 (0.59) TP53MAPTS1PR1MAOAMAOB
SCHEMBL4522469 0.88 TP53 (0.61) TP53MAPTS1PR1MAOAMAOB
SCHEMBL3885534 0.87 TP53 (0.61) TP53MAPTS1PR1MAOAMAOB
SCHEMBL3945897 0.85 KMT2A (0.52) TP53MAPTS1PR1RXFP1MEN1
SCHEMBL3880851 0.85 S1PR1 (0.61) TP53MAPTS1PR1MAOAMAOB

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 3 patents. 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
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 EP claimed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 WO 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 TP53 487/4885MAPT 3872/4885S1PR1 3084/4885

“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.