SCHEMBL4129795

SCHEMBL4129795

O=C(Cl)c1onc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.41
IP6K1 Q92551 6/20 0.38
ALDH1A1 P00352 6/20 0.38
IP6K3 Q96PC2 5/20 0.38
IP6K2 Q9UHH9 5/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ROCK1 Q13464 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
MAP2K3 P46734 1/20 0.36
MAP2K6 P52564 1/20 0.36
BTK Q06187 1/20 0.36
MAP3K19 Q56UN5 1/20 0.36
NEK10 Q6ZWH5 1/20 0.36
HIF1A Q16665 4/20 0.36

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
SCHEMBL570621 0.82 ALDH1A1 (0.47) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL1756651 0.81 RBP4 (0.41) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL7734837 0.81 ALDH1A1 (0.46) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL4602617 0.81 LCK (0.47) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL25174216 0.78 RBP4 (0.40) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL9510903 0.78 HTT (0.49) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL17321380 0.77 ELANE (0.40) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL8880128 0.77 RBP4 (0.39) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL8232354 0.77 RBP4 (0.41) RBP4IP6K1ALDH1A1IP6K3IP6K2
SCHEMBL6170975 0.77 RAB9A (0.43) RBP4IP6K1ALDH1A1IP6K2TP53

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 RBP4 1262/4885IP6K1 511/4885ALDH1A1 1599/4885
US-20060106061-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 RBP4 1278/4885IP6K1 1214/4885ALDH1A1 2039/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 RBP4 1262/4885IP6K1 511/4885ALDH1A1 1599/4885
US-20040082609-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, PTGDR, LTB4R2 RBP4 1532/4885IP6K1 986/4885ALDH1A1 1663/4885

“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.