SCHEMBL4186865

SCHEMBL4186865

O=C(O)Cc1c(O)ccnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGDR2 Q9Y5Y4 6/20 0.45
POLB P06746 2/20 0.43
AKR1B1 P15121 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 2/20 0.42
ABCC4 O15439 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4193609 0.81 MAPK1 (0.49) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL4055913 0.81 LMNA (0.46) ALDH1A1HPGDLMNAKMT2A
SCHEMBL10639318 0.76 KDM4E (0.50) KDM4EGAAALDH1A1HPGDPTGDR2
SCHEMBL4705121 0.74 AKR1B1 (0.46) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL8491910 0.72 KDM4E (0.59) KDM4EGAAALDH1A1PTGDR2POLB
SCHEMBL11367932 0.72 HTR2B (0.41) KDM4EALDH1A1GLAHPGDHSD17B10
Malonic Acid SCHEMBL11758985 0.71 SLC22A12 (0.47) KDM4EGAAHSD17B10PTGDR2POLB
SCHEMBL5570307 0.71 HTR2B (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL27999561 0.70 ALDH1A1 (0.52) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL11251835 0.70 TDP1 (0.54) KDM4EALDH1A1HSD17B10PTGDR2POLB

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
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 KDM4E 4138/4885GAA 1740/4885ALDH1A1 1361/4885

“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.