SCHEMBL1885068

SCHEMBL1885068

C[C@@H](C(=O)Nc1ccccn1)c1cccc(C(=O)c2ccco2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CYP1A2 P05177 2/20 0.53
TP53 P04637 3/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 4/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 5/20 0.44

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
SCHEMBL1885071 1.00 POLB (0.59) POLBSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL3155175 0.85 POLB (0.73) POLBSMN1; SMN2NPC1RAB9ACYP1A2
Hydrochloric Acid SCHEMBL3258168 0.84 POLB (0.71) POLBSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL13952477 0.81 HSPA8 (0.58) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL12660183 0.81 HSPA8 (0.58) SMN1; SMN2NPC1RAB9ACYP1A2TP53
SCHEMBL1889981 0.81 ALDH1A1 (0.50) POLBSMN1; SMN2RAB9ACYP1A2LMNA
SCHEMBL1889984 0.81 ALDH1A1 (0.50) POLBSMN1; SMN2RAB9ACYP1A2LMNA
SCHEMBL4258877 0.78 ALDH1A1 (0.53) POLBSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL4258886 0.78 ALDH1A1 (0.53) POLBSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL12660189 0.77 MAPT (0.49) POLBSMN1; SMN2RAB9ACYP1A2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US claimed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP claimed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US claimed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP claimed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 WO claimed
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP disclosed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US disclosed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US disclosed
US-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them DOMPE' PHA.R.MA.S.P.A. (IT) 2008-12-18 US disclosed
EP-1856031-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-11-21 EP disclosed
WO-2006063999-A1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA.S.P.A. (IT) 2006-06-22 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-20080312293-A1 2-Arylpropionic Acid Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR2, C5AR1 POLB 2510/4885SMN1; SMN2 2181/4885NPC1 4258/4885

“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.