SCHEMBL1753746

SCHEMBL1753746

O=c1cc(Br)ccn1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
ATM Q13315 1/20 0.44
MGLL Q99685 2/20 0.43
FAAH O00519 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.40
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KMT2A Q03164 1/20 0.37
F10 P00742 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TLR9 Q9NR96 1/20 0.37
S100A4 P26447 1/20 0.37
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL31573857 0.86 ESR1 (0.50) HTTALDH1A1ALOX15ATMMGLL
SCHEMBL1753473 0.82 ALDH1A1 (0.41) HTTALDH1A1ALOX15ATMMGLL
SCHEMBL10087069 0.82 HTT (0.53) HTTALDH1A1ALOX15ATMMGLL
SCHEMBL29348799 0.82 ALDH1A1 (0.41) HTTALDH1A1ALOX15ATMMGLL
SCHEMBL2336025 0.80 PTGS2 (0.45)
SCHEMBL29348795 0.79 HTT (0.39) HTTALDH1A1ALOX15ATMMGLL
SCHEMBL1753665 0.79 ALDH1A1 (0.41) HTTALDH1A1ALOX15ATMMGLL
SCHEMBL1753476 0.77 HTT (0.38) HTTALDH1A1ALOX15ATMMGLL
SCHEMBL15639205 0.77 MCHR1 (0.45) POLBNPSR1NPC1RAB9A
SCHEMBL31573853 0.74 CA12 (0.43) HTTALDH1A1ALOX15ATM

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-2102208-B1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2014-04-23 EP disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-8158643-B2 Substituted diaza-spiro-pyridinone derivatives for use in MCH-1 mediated diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-17 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
US-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-11 US disclosed
WO-2008068265-A1 NOVEL SUBSTITUTED DIAZA SPIRO PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 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-20100035909-A1 NOVEL SUBSTITUTED DIAZA-SPIRO-PYRIDINONE DERIVATIVES FOR USE IN MCH-1 MEDIATED DISEASES MCHR1, MCHR2, MC1R HTT 636/4885ALDH1A1 281/4885ALOX15 1811/4885

“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.