SCHEMBL4707490

SCHEMBL4707490

O=C(c1ccccc1Cl)c1ncccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 1/20 0.50
KMT2A Q03164 1/20 0.50
IGFBP3 P17936 1/20 0.48
TLR7 Q9NYK1 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GRM4 Q14833 1/20 0.44
HPGD P15428 2/20 0.43
KDR P35968 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8709073 0.86 KDM4E (0.50) KMT2ATLR7ALDH1A1KDM4ECYP3A4
SCHEMBL9166777 0.83 ALDH1A1 (0.62) RORBKMT2AIGFBP3CES2CES1
SCHEMBL27699633 0.80 FTO (0.55) TLR7ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL8715464 0.78 TLR7 (0.43) RORBKMT2ATLR7ALDH1A1KDM4E
SCHEMBL4706560 0.78 KMT2A (0.51) RORBKMT2AIGFBP3CES2CES1
SCHEMBL2901555 0.78 RORB (0.55) RORBKMT2ACES2CES1ALDH1A1
SCHEMBL8714874 0.77 TLR7 (0.42) RORBKMT2ATLR7ALDH1A1KDM4E
SCHEMBL6767566 0.77 KMT2A (0.57) RORBKMT2ACES2CES1ALDH1A1
SCHEMBL2924890 0.76 CES2 (0.58) KMT2ACES2CES1ALDH1A1KDM4E
SCHEMBL20991113 0.76 RORB (0.60) RORBKMT2ACES2CES1ALDH1A1

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 7 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
CN-1312136-C Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2007-04-25 CN 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 RORB 2614/4885KMT2A 2325/4885IGFBP3 940/4885

“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.