SCHEMBL3781591

SCHEMBL3781591

CC(=O)C(Cc1ccc(S(C)(=O)=O)cc1Cl)C(=O)Nc1cc(O)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.40
SMO Q99835 2/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL3787305 0.91 PDK1 (0.40) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL3777270 0.87 ALDH1A1 (0.47) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL3779976 0.82 LMNA (0.47) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL3772879 0.77 HDAC8 (0.43) ALDH1A1GAAMEN1KMT2AKDM4E
SCHEMBL4634327 0.77 LMNA (0.42) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL3784324 0.76 MEN1 (0.53) ALDH1A1GAALMNAPDK1PDK2
SCHEMBL3775842 0.76 PYGL (0.41) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4634330 0.76 LMNA (0.44) ALDH1A1MAPTLMNAPDK1PDK2
SCHEMBL2575049 0.74 KMT2A (0.43) ALDH1A1MAPTNPC1RAB9AGAA
SCHEMBL3779263 0.74 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AGAALMNA

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 ALDH1A1 4201/4885MAPT 4787/4885NPC1 1903/4885

“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.