SCHEMBL5174629

SCHEMBL5174629

O=C(Nc1ccccc1)Oc1ccc(OCCCN2CCC(O)(c3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ EPHX2 P34913 2/20 0.54
▸ HRH3 Q9Y5N1 5/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ DRD5 P21918 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ HRH1 P35367 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ FAAH O00519 6/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL5175324 0.95 KCNA5 (0.54) MEN1ALDH1A1LMNAKMT2AHRH3
SCHEMBL5175935 0.89 ALDH1A1 (0.51) MEN1ALDH1A1LMNAKMT2AEPHX2
SCHEMBL5174529 0.88 SIGMAR1 (0.63) MEN1ALDH1A1LMNAKMT2ADRD2
SCHEMBL5174595 0.88 KCNA5 (0.60) MEN1ALDH1A1LMNAKMT2AHRH3
SCHEMBL5175362 0.88 MEN1 (0.55) MEN1ALDH1A1LMNAKMT2AHRH3
SCHEMBL5174431 0.86 MET (0.47) MEN1ALDH1A1LMNAKMT2A
SCHEMBL5175575 0.86 SIGMAR1 (0.53) ALDH1A1EPHX2DRD2HTR1AFAAH
SCHEMBL5943785 0.83 HTT (0.50) MEN1ALDH1A1LMNAKMT2AEPHX2
SCHEMBL11717047 0.83 ALDH1A1 (0.74) MEN1ALDH1A1LMNAKMT2AHRH3
Bromide SCHEMBL4688803 0.79 MEN1 (0.67) MEN1ALDH1A1LMNAKMT2AHRH3

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-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 — — EP claimed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — WO claimed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — US claimed
EP-1868605-A2 PHENYL AND PYRIDYL LTA4H MODULATORS Janssen Pharmaceutica, N.V. (BE) 2007-12-26 — — EP disclosed
WO-2006105304-A2 PHENYL AND PYRIDYL LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — WO disclosed
US-20060223792-A1 Phenyl and pyridyl LTA4H modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — US 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-20060223792-A1 Phenyl and pyridyl LTA4H modulators LTA4H, LTB4R, LTC4S MEN1 4858/4885ALDH1A1 1142/4885LMNA 2091/4885

“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.

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