SCHEMBL3949029

SCHEMBL3949029

CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)c(=O)oc12

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.58
ALK Q9UM73 3/20 0.51
INSR P06213 2/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
BACE1 P56817 1/20 0.48
LMNA P02545 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
EGFR P00533 1/20 0.44
KMT2A Q03164 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
SCHEMBL3888340 0.93 S1PR1 (0.59) S1PR1MAPTTP53BACE1LMNA
SCHEMBL4515009 0.92 S1PR1 (0.59) S1PR1MAPTTP53BACE1LMNA
SCHEMBL4176314 0.92 S1PR1 (0.58) S1PR1MAPTTP53LMNARXFP1
SCHEMBL4523671 0.88 LMNA (0.54) S1PR1MAPTTP53BACE1LMNA
SCHEMBL4530138 0.88 S1PR1 (0.57) S1PR1MAPTTP53LMNAMAOA
SCHEMBL4531541 0.87 S1PR1 (0.55) S1PR1MAPTTP53BACE1LMNA
SCHEMBL4523511 0.87 S1PR1 (0.55) S1PR1MAPTTP53BACE1LMNA
SCHEMBL3944106 0.87 KMT2A (0.53) S1PR1MAPTTP53LMNARXFP1
SCHEMBL3878415 0.86 S1PR1 (0.54) S1PR1MAPTTP53BACE1LMNA
SCHEMBL3885678 0.86 LMNA (0.58) S1PR1MAPTTP53BACE1LMNA

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 S1PR1 3084/4885ALK 3992/4885INSR 1108/4885

“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.