SCHEMBL5174396

SCHEMBL5174396

O=C(Nc1ccccc1)Oc1ccc(OCCN2CCCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.65
KCNH2 Q12809 1/20 0.65
LTA4H P09960 2/20 0.61
ESR1 P03372 2/20 0.60
KCNA5 P22460 2/20 0.60
KDR P35968 1/20 0.60
FLT3 P36888 1/20 0.60
EPHX2 P34913 1/20 0.59
PSMB1 P20618 2/20 0.59
PSMB5 P28074 2/20 0.59
ESR2 Q92731 1/20 0.58
HTT P42858 1/20 0.58
PSMB2 P49721 1/20 0.58
KDM4E B2RXH2 1/20 0.57
HRH2 P25021 1/20 0.57

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
SCHEMBL5174922 1.00 HRH3 (0.65) HRH3KCNH2LTA4HESR1KCNA5
SCHEMBL5176439 0.96 KDR (0.65) HRH3KCNH2LTA4HESR1KCNA5
Hydrochloric Acid SCHEMBL5176435 0.95 KDR (0.64) HRH3KCNH2LTA4HESR1KCNA5
SCHEMBL5175549 0.87 KCNA5 (0.57) HRH3KCNH2LTA4HKCNA5KDR
SCHEMBL5176746 0.86 HRH3 (0.60) HRH3LTA4HKCNA5
SCHEMBL5173978 0.86 EPHX2 (0.66) HRH3KCNH2LTA4HKCNA5EPHX2
SCHEMBL5174638 0.85 RAB9A (0.58) HRH3KCNH2EPHX2HTT
SCHEMBL5174741 0.85 RAB9A (0.58) HRH3KCNH2EPHX2HTT
SCHEMBL5174997 0.85 LTA4H (0.63) HRH3KCNH2LTA4HKCNA5KDR
SCHEMBL5175547 0.84 LTA4H (0.55) HRH3KCNH2LTA4HESR1KDR

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 4 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
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 HRH3 159/4885KCNH2 3148/4885LTA4H 1/4885

“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.