SCHEMBL6087572

SCHEMBL6087572

Oc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 6/20 0.61
CYP1A2 P05177 3/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CYP3A4 P08684 2/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
HIF1A Q16665 1/20 0.61
GMNN O75496 1/20 0.61
APEX1 P27695 1/20 0.61
PMP22 Q01453 1/20 0.61
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
RAB9A P51151 3/20 0.47

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
SCHEMBL30909351 0.94 HTT (0.61) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL6238201 0.94 HTT (0.61) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL8508099 0.82 HTT (0.66) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL10954923 0.82 HTT (0.61) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL10942912 0.82 HTT (0.54) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL27259682 0.81 ALDH1A1 (0.60) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL30534581 0.80 HTT (0.74) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL10904809 0.80 HTT (0.74) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL18612170 0.79 HTT (0.66) HTTL3MBTL1ALDH1A1CYP1A2HPGD
SCHEMBL17859587 0.79 HTT (0.66) HTTL3MBTL1ALDH1A1CYP1A2HPGD

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
EP-1539699-A1 4- 7'-HALO-2-QUINO (XA-) LINYLOXY!PHENOXY-PROPIONIC ACID DERIVATIVES AS ANTINEOPLASTIC AGENTS WAYNE STATE UNIVERSITY (US) 2005-06-15 EP claimed
WO-2004005260-A1 A-`7-HALO-2-QUINO (XA-) LINYLOXY!PHENOXY-PROPIONIC ACID DERIVATIVES AS ANTINEOPLASTIC AGENTS WAYNE STATE UNIVERSITY (US) 2004-01-15 WO claimed
US-7109341-B2 Therapeutic amides WAYNE STATE UNIVERSITY (US) 2006-09-19 US disclosed
EP-1539699-A1 4- 7'-HALO-2-QUINO (XA-) LINYLOXY!PHENOXY-PROPIONIC ACID DERIVATIVES AS ANTINEOPLASTIC AGENTS WAYNE STATE UNIVERSITY (US) 2005-06-15 EP disclosed
US-20040132618-A1 Therapeutic amides NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2004-07-08 US disclosed
WO-2004005260-A1 A-`7-HALO-2-QUINO (XA-) LINYLOXY!PHENOXY-PROPIONIC ACID DERIVATIVES AS ANTINEOPLASTIC AGENTS WAYNE STATE UNIVERSITY (US) 2004-01-15 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-20040132618-A1 Therapeutic amides HDAC5, HDAC6, ASAH2 HTT 2419/4885L3MBTL1 2062/4885ALDH1A1 1175/4885

“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.