SCHEMBL3783064

SCHEMBL3783064

COC(=O)C(Sc1ccc(Cl)cc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.45
TRPA1 O75762 3/20 0.43
S100A4 P26447 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
HPGD P15428 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
BRD4 O60885 1/20 0.40
SLC6A2 P23975 1/20 0.39

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
SCHEMBL3778692 0.86 HSD17B10 (0.57) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL5847126 0.84 NPSR1 (0.47) CYP2C9CYP2C19HSD17B10TSHRMMP1
SCHEMBL7367263 0.83 KMT2A (0.47) MAPTL3MBTL1LMNA
SCHEMBL28600328 0.81 CYP2C9 (0.61) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL14346648 0.79 TSHR (0.59) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL3518534 0.77 CYP2C9 (0.51) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL20563537 0.74 IDO1 (0.41) TSHRHPGDMAPTHTTALDH1A1
SCHEMBL28695278 0.73 LMNA (0.53) CYP2C9CYP2C19HSD17B10TRPA1MAPT
SCHEMBL878614 0.73 TSHR (0.46) CYP2C9CYP2C19HSD17B10TSHRTRPA1
SCHEMBL28695277 0.73 LMNA (0.53) CYP2C9CYP2C19HSD17B10TRPA1MAPT

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 CYP2C9 2182/4885CYP2C19 2551/4885HSD17B10 767/4885

“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.