SCHEMBL1509380

SCHEMBL1509380

Nc1cccc(C(=O)OCC(COC(=O)c2cccc(N)c2)(COC(=O)c2cccc(N)c2)COC(=O)c2cccc(N)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
HIF1A Q16665 1/20 0.62
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRB3 P13945 2/20 0.53
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
PBRM1 Q86U86 1/20 0.49
ELANE P08246 2/20 0.46
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL1802562 0.84 ADRB2 (0.55) ADRB2ADRB1ADRB3CHRNB2CHRNA4
SCHEMBL1804032 0.81 TDP1 (0.61) ADRB2ADRB1ADRB3CHRNB2CHRNA4
SCHEMBL29465556 0.81 LMNA (0.62) ADRB2ADRB1ADRB3CHRNB2CHRNA4
SCHEMBL133366 0.81 LMNA (0.62) ADRB2ADRB1ADRB3CHRNB2CHRNA4
SCHEMBL1795012 0.81 TDP1 (0.56) ADRB2ADRB1ADRB3CHRNB2CHRNA4
SCHEMBL23484460 0.81 MAPK1 (0.65) MAPK1HIF1AADRB2ADRB1ADRB3
SCHEMBL5310805 0.79 TDP1 (0.59) ADRB2ADRB1ADRB3CHRNB2CHRNA4
SCHEMBL19032982 0.79 ADRB2 (0.51) ADRB2ADRB1ADRB3CHRNB2CHRNA4
SCHEMBL8846567 0.79 SLC7A5 (0.57) ADRB2ADRB1ADRB3CHRNB2CHRNA4
Methane SCHEMBL15286491 0.79 LMNA (0.61) ADRB2ADRB1ADRB3CHRNB2CHRNA4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289962-A2 Polyurea compositions and compounds for the preparation thereof Sawyer, Kenneth I. (US) 2011-03-02 EP claimed
US-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof Sawyer, Kenneth I. (US) 2008-08-14 US claimed
EP-1751206-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF Sawyer, Kenneth I. (US) 2007-02-14 EP claimed
WO-2005113487-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF SAWYER KENNETH I (US) 2005-12-01 WO claimed
EP-2289962-A2 Polyurea compositions and compounds for the preparation thereof Sawyer, Kenneth I. (US) 2011-03-02 EP disclosed
US-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof Sawyer, Kenneth I. (US) 2008-08-14 US disclosed
EP-1751206-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF Sawyer, Kenneth I. (US) 2007-02-14 EP disclosed
WO-2005113487-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF SAWYER KENNETH I (US) 2005-12-01 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-20080194859-A1 Polyurea Compositions and Compounds for the Preparation Thereof PUF60, PCNA, PARG MAPK1 4158/4885HIF1A 773/4885ADRB2 4804/4885

“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.