SCHEMBL4130469

SCHEMBL4130469

COc1cccc(C(=O)N2c3ccccc3C(Nc3ccccc3)CC2(C)C)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
P2RY1 P47900 2/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
HPGD P15428 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NLRP3 Q96P20 1/20 0.42

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
SCHEMBL4137285 0.83 TP53 (0.52) SMN1; SMN2TP53PTGDR2BCHEACHE
SCHEMBL4127735 0.82 BRD4 (0.57) SMN1; SMN2P2RY1NPC1RAB9ATSHR
SCHEMBL4129242 0.79 LMNA (0.66) SMN1; SMN2P2RY1PTGDR2LMNA
SCHEMBL4123944 0.79 LMNA (0.66) SMN1; SMN2P2RY1PTGDR2LMNA
SCHEMBL4128812 0.78 PTGDR2 (0.67) SMN1; SMN2TP53PTGDR2
SCHEMBL5386467 0.76 LMNA (0.48) SMN1; SMN2P2RY1PTGDR2LMNA
SCHEMBL3456905 0.71 TP53 (0.81) SMN1; SMN2TP53LMNA
SCHEMBL4131021 0.70 P2RY1 (0.66) SMN1; SMN2P2RY1RAB9AHPGDTSHR
SCHEMBL4123938 0.69 PTGDR2 (0.63) SMN1; SMN2PTGDR2LMNA
SCHEMBL13776047 0.69 P2RY1 (0.63) SMN1; SMN2P2RY1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7211672-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-01 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-05-18 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
EP-1556047-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-27 EP disclosed
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2004032848-A2 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-04-22 WO 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 (4 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMN1; SMN2 4770/4885TP53 4583/4885P2RY1 387/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMN1; SMN2 4803/4885TP53 4653/4885P2RY1 245/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 SMN1; SMN2 4770/4885TP53 4583/4885P2RY1 387/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 SMN1; SMN2 4763/4885TP53 4673/4885P2RY1 357/4885

“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.