SCHEMBL9966554

SCHEMBL9966554

O=C(O)C1(c2ccc(OCc3ccccn3)cc2)CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.51
PDE5A O76074 2/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.44
MAOB P27338 1/20 0.43
ALOX5 P09917 2/20 0.43
ALOX5AP P20292 1/20 0.43
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
P2RY12 Q9H244 1/20 0.42
PRKDC P78527 1/20 0.41
MAPK14 Q16539 2/20 0.41
SMO Q99835 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL25381933 0.91 PARP10 (0.57) PARP10PDE5AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23163539 0.84 MMP1 (0.53) PARP10ALDH1A1TSHRMEN1KMT2A
SCHEMBL28749427 0.79 GPR132 (0.47) SMN1; SMN2TSHRMEN1KMT2APRKDC
SCHEMBL25433706 0.78 PARP10 (0.53) PARP10ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL9936964 0.77 ALDH1A1 (0.45) PARP10ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL23163602 0.77 TSHR (0.53) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL976403 0.76 PARP10 (0.60) PARP10ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL23163981 0.76 MEN1 (0.55) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL31582061 0.74 PARP10 (0.52) PARP10ALDH1A1MAOBALOX5
SCHEMBL1627580 0.74 AKR1C1 (0.68) ALDH1A1SMN1; SMN2TSHRKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S PARP10 1175/4885PDE5A 1086/4885ALDH1A1 681/4885

“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.