SCHEMBL4193601

SCHEMBL4193601

CCOC(=O)C(O)(c1ccccc1)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
CHRM3 P20309 4/20 0.49
CHRM4 P08173 2/20 0.49
KCNA5 P22460 2/20 0.47
ALDH1A1 P00352 4/20 0.45
CHRM5 P08912 1/20 0.44
CYP2D6 P10635 1/20 0.44
RORC P51449 1/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
PIN1 Q13526 1/20 0.43

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
SCHEMBL3554276 0.89 CYP19A1 (0.54) MEN1KMT2AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL2763579 0.86 POLB (0.62) MEN1KMT2APOLBSMN1; SMN2CHRM2
SCHEMBL840195 0.82 MAPK1 (0.45) MEN1KMT2APOLBMAPK1SMN1; SMN2
SCHEMBL8330075 0.81 MAPK1 (0.49) MAPK1SMN1; SMN2ALDH1A1RORCCYP3A4
SCHEMBL1225868 0.81 TDP1 (0.56) MAPK1SMN1; SMN2ALDH1A1CYP3A4CYP1A2
SCHEMBL3949682 0.80 MAPK1 (0.46) MAPK1SMN1; SMN2KCNA5ALDH1A1RORC
SCHEMBL27564027 0.80 CYP1A2 (0.57) KMT2AMAPK1SMN1; SMN2KCNA5ALDH1A1
SCHEMBL8329737 0.79 MAPK1 (0.48) KMT2AMAPK1SMN1; SMN2ALDH1A1RORC
SCHEMBL1605423 0.79 MAPK1 (0.48) MAPK1SMN1; SMN2ALDH1A1RORCCYP3A4
SCHEMBL24129753 0.79 MAPK1 (0.48) MEN1KMT2APOLBMAPK1SMN1; SMN2

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 MEN1 1446/4885KMT2A 3467/4885POLB 3110/4885

“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.