SCHEMBL3772879

SCHEMBL3772879

CC(=O)C(Cc1ccc(Cl)cc1Cl)C(=O)Nc1cc(O)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.43
TRPV1 Q8NER1 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ERCC1 P07992 1/20 0.40
ERCC4 Q92889 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HDAC1 Q13547 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3775842 0.92 PYGL (0.41) HDAC8TRPV1MEN1KMT2AALDH1A1
SCHEMBL3779106 0.92 ANO1 (0.37) HDAC8TRPV1MEN1KMT2AERCC1
SCHEMBL3787305 0.87 PDK1 (0.40) HDAC8CYP3A4GAAMEN1KMT2A
SCHEMBL3785370 0.85 MDM2 (0.42) MEN1KMT2AALDH1A1KDM4E
SCHEMBL3778904 0.84 MAPT (0.43) GAAMEN1KMT2AALDH1A1
SCHEMBL3784633 0.79 GAA (0.42) GAAMEN1KMT2AALDH1A1
SCHEMBL3781591 0.77 ALDH1A1 (0.48) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL2577121 0.77 LNPEP (0.39) TRPV1GAAMEN1KMT2AALDH1A1
SCHEMBL3784324 0.76 MEN1 (0.53) TRPV1GAAMEN1KMT2AALDH1A1
SCHEMBL28322156 0.74 HDAC8 (0.47) HDAC8CYP3A4CYP2C9GAAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 HDAC8 455/4885TRPV1 1020/4885CYP3A4 2853/4885

“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.