SCHEMBL6181273

SCHEMBL6181273

NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
LMNA P02545 5/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GRIN2B Q13224 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL17338837 0.84 HPGD (0.59) ESR1LMNATSHRMAPK1MAOB
SCHEMBL8495207 0.80 IDO1 (0.43) LMNAMAPTKDM4EALDH1A1GRIN2B
SCHEMBL8745843 0.78 GRIN2B (0.43) ESR1ESR2LMNATSHRCYP3A4
SCHEMBL8495528 0.78 MEN1 (0.43) LMNAL3MBTL1POLBMAPTKDM4E
SCHEMBL7108334 0.76 CA1 (0.46) LMNAPOLBMAPTCA1CA2
SCHEMBL10349510 0.76 ESR2 (0.54) ESR1ESR2LMNAALOX15CYP3A4
SCHEMBL11525026 0.76 LMNA (0.50) ESR1ESR2LMNACES2CES1
SCHEMBL6734905 0.75 LMNA (0.61) LMNACES2CES1TSHRL3MBTL1
SCHEMBL6734907 0.75 LMNA (0.61) LMNACES2CES1TSHRL3MBTL1
SCHEMBL1141828 0.72 BLM (0.43) ESR1ESR2LMNACES2CES1

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-6919353-B2 Substituted 8-arylquinolune PDE4 inhibitors MERCK FROSST CANADA & CO. (CA) 2005-07-19 US disclosed
EP-1404330-B1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA INC (CA) 2005-06-01 EP disclosed
US-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2004-08-19 US disclosed
EP-1404330-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-04-07 EP disclosed
WO-2003002118-A1 SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-01-09 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-20040162314-A1 Substituted 8-arylquinolune pde4 inhibitors PDE12, PDE4A, PDE4B ESR1 2747/4885ESR2 2095/4885LMNA 4534/4885

“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.