SCHEMBL1647309

SCHEMBL1647309

N#Cc1ccccc1COC(=O)c1cc(Br)ccc1OCc1ccccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.54
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SGMS2 Q8NHU3 1/20 0.46
FFAR1 O14842 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LRRK2 Q5S007 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALOX15 P16050 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
SCHEMBL1646750 0.89 ALDH1A1 (0.52) ALDH1A1KDM4ESGMS2FFAR1LRRK2
SCHEMBL1647367 0.81 LRRK2 (0.59) ALDH1A1KDM4ETSHRKMT2ANPC1
SCHEMBL1648024 0.81 LRRK2 (0.59) ALDH1A1KMT2ACASP3SENP8SENP7
SCHEMBL1646919 0.81 PTGER1 (0.52) ALDH1A1KDM4ETSHRKMT2ANPC1
SCHEMBL1649416 0.76 SGMS2 (0.79) SGMS2LRRK2
SCHEMBL552025 0.76 LRRK2 (0.57) ALDH1A1KDM4ETDP1LRRK2PTGDR2
SCHEMBL1647482 0.76 CCR5 (0.60) TSHRRAB9ATDP1LRRK2
SCHEMBL1647817 0.75 SLC6A4 (0.54) SGMS2FFAR1LRRK2TRPM8
SCHEMBL18852174 0.75 AAK1 (0.44) ALDH1A1KDM4ETSHRKMT2ASGMS2
SCHEMBL27594583 0.74 ALDH1A1 (0.62) ALDH1A1KDM4ETSHRKMT2ASGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 ALDH1A1 4183/4885KDM4E 3000/4885TSHR 4670/4885

“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.