SCHEMBL4707443

SCHEMBL4707443

OC(c1ccccc1Cl)c1ncncc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGFBP3 P17936 1/20 0.39
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
CYP2C19 P33261 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KCNA5 P22460 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
AOC3 Q16853 1/20 0.33
CYP19A1 P11511 1/20 0.33
NFKB1 P19838 1/20 0.32
HIF1A Q16665 1/20 0.32
OPRM1 P35372 3/20 0.32

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
SCHEMBL4705342 0.75 HPGD (0.41) IGFBP3HPGDHSD17B10IDO1TDO2
SCHEMBL3061790 0.74 GAA (0.44) IGFBP3HPGDHSD17B10IDO1TDO2
SCHEMBL29844926 0.70 OPRM1 (0.39) IGFBP3HPGDHSD17B10IDO1TDO2
SCHEMBL20281128 0.70 OPRM1 (0.39) IGFBP3HPGDHSD17B10IDO1TDO2
SCHEMBL230382 0.70 ADRB2 (0.48) IGFBP3IDO1TDO2CYP2C19CYP2D6
SCHEMBL29976363 0.70 ADRB2 (0.48) IGFBP3IDO1TDO2CYP2C19CYP2D6
SCHEMBL4015279 0.69 IGFBP3 (0.43) IGFBP3HPGDHSD17B10IDO1TDO2
SCHEMBL4707217 0.68 CYP2C19 (0.45) IGFBP3HPGDHSD17B10CYP2C19KDM4C
SCHEMBL4706771 0.67 IGFBP3 (0.41) IGFBP3HPGDHSD17B10IDO1TDO2
SCHEMBL8745972 0.67 HPGD (0.53) IGFBP3HPGDHSD17B10IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
CN-1646502-A Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2005-07-27 CN disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 IGFBP3 940/4885HPGD 1378/4885HSD17B10 3075/4885

“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.