SCHEMBL3776986

SCHEMBL3776986

CCc1[nH]c2c(Cl)ccc(OCC(=O)OC)c2c(=O)c1Cc1ccc(C(=O)N2CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPY4R P50391 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.35
PARP1 P09874 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 2/20 0.35
MCL1 Q07820 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3778740 0.90 HPGD (0.37) HPGDL3MBTL1ALDH1A1NPC1MAPT
SCHEMBL3779072 0.87 LMNA (0.37) HPGDL3MBTL1ALDH1A1MAPTKDM4E
SCHEMBL2571353 0.85 HPGD (0.34) HPGDALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL2570600 0.85 LMNA (0.33) HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL534098 0.83 ALDH1A1 (0.34) HPGDALDH1A1MAPTKDM4EKMT2A
SCHEMBL3777589 0.83 TSHR (0.40) HPGDL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL3780979 0.83 HPGD (0.40) HPGDL3MBTL1NPY4RHSD17B10
SCHEMBL2573441 0.80 PTGDR2 (0.46) KDM4E
SCHEMBL3779428 0.79 PTGDR2 (0.36) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL534053 0.77 MAOB (0.34) ALDH1A1MAPTKDM4EKMT2A

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
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
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 HPGD 1772/4885L3MBTL1 3442/4885ALDH1A1 4201/4885

“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.