SCHEMBL5774016

SCHEMBL5774016

CSc1cccc2[nH]c(Br)c(Cc3ccc(Cl)cc3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 4/20 0.33
PRNP P04156 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 3/20 0.32
EGFR P00533 1/20 0.32
TYMS P04818 1/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5779353 0.77 NPC1 (0.36) SLC2A1PTGS2MAPTL3MBTL1LMNA
SCHEMBL5774983 0.76 MAPT (0.51) PTGS1PTGS2MAPTPRNPLMNA
SCHEMBL5778702 0.73 GPR84 (0.49) MAPTLMNA
SCHEMBL3344730 0.62 ALDH1A1 (0.46) SLC2A1PTGS1PTGS2MAPTLMNA
SCHEMBL7495375 0.62 HTR2A (0.58) PTGS2MAPTPRNPLMNAKDM4E
SCHEMBL6993933 0.62 MAPT (0.49) PTGS1PTGS2MAPTPRNPHPGD
SCHEMBL5778291 0.62 NPC1 (0.40) MAPTL3MBTL1LMNAHPGDKDM4E
SCHEMBL6992348 0.61 TUBB4A (0.57) MAPTPRNPKDM4ETUBB4ATUBB
SCHEMBL6989261 0.59 MAPT (0.49) PTGS1PTGS2MAPTPRNPLMNA
SCHEMBL28804560 0.59 MAPT (0.49) PTGS1PTGS2MAPTPRNPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 US disclosed
EP-1395590-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-A]INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-03-10 EP disclosed
WO-2002094830-A2 DIHYDROPYRROLO[1,2-A]INDOLE AND TETRAHYDROPYRIDO[1,2-a]-INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2002-11-28 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 (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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR SLC2A1 3934/4885PTGS1 8/4885PTGS2 7/4885

“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.