SCHEMBL598706

SCHEMBL598706

Cc1cc(C)n(-c2ccc(OCCN3CCCCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.60
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
ESR1 P03372 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
MAPT P10636 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
ESR2 Q92731 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PSMB1 P20618 5/20 0.53
PSMB5 P28074 5/20 0.53
HRH3 Q9Y5N1 4/20 0.53
HRH1 P35367 1/20 0.53
HRH4 Q9H3N8 1/20 0.53
PSMB2 P49721 3/20 0.52

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
SCHEMBL1875525 0.92 HRH3 (0.60) SIGMAR1HRH3HRH1HRH4MAPK14
SCHEMBL10029396 0.88 KDM4E (0.53) SIGMAR1KDM4EALDH1A1ESR1TP53
SCHEMBL596833 0.84 LTA4H (0.51) SIGMAR1KDM4EALDH1A1ESR1TP53
SCHEMBL467139 0.81 SIGMAR1 (0.72) SIGMAR1LTA4HKCNH2
SCHEMBL467287 0.80 SIGMAR1 (0.71) SIGMAR1LTA4HKCNH2
SCHEMBL1883043 0.80 HRH3 (0.58) HRH3HRH1HRH4MAPK14KCNH2
SCHEMBL1876974 0.80 HRH3 (0.58) SIGMAR1HRH3HRH1HRH4MAPK14
SCHEMBL1877069 0.78 HRH3 (0.56) SIGMAR1KDM4EHRH3HRH1HRH4
SCHEMBL1871690 0.78 HRH3 (0.55) MAPTHRH3HRH1HRH4MAPK14
SCHEMBL1882951 0.78 HRH3 (0.56) KDM4EHRH3HRH1HRH4MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
US-8115005-B2 Pyrazolylphenyl and pyrrolylphenyl inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF. (IS) 2012-02-14 US disclosed
WO-2008019302-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
WO-2008019302-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 US disclosed
US-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-02-07 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-20080033013-A1 PYRAZOLYLPHENYL AND PYRROLYLPHENYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTB4R2, LTC4S, LTA4H SIGMAR1 1436/4885KDM4E 2116/4885ALDH1A1 2434/4885

“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.