SCHEMBL598169

SCHEMBL598169

Cc1c(C(F)F)cnn1-c1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 6/20 0.50
PSMB5 P28074 6/20 0.50
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 2/20 0.48
ESR1 P03372 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ESR2 Q92731 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HRH3 Q9Y5N1 6/20 0.48
HRH1 P35367 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPK14 Q16539 1/20 0.47

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
SCHEMBL10029397 0.84 HRH3 (0.53) PSMB1PSMB5KDM4EALDH1A1ESR1
SCHEMBL10063175 0.83 KDM4E (0.49) PSMB1PSMB5KDM4EALDH1A1ESR1
SCHEMBL10029396 0.73 KDM4E (0.53) PSMB1PSMB5KDM4EALDH1A1ESR1
SCHEMBL28702090 0.73 ESR1 (0.70) KDM4EALDH1A1ESR1TP53CYP1A2
SCHEMBL598706 0.72 SIGMAR1 (0.60) PSMB1PSMB5KDM4EALDH1A1ESR1
Hydrochloric Acid SCHEMBL15905494 0.72 ESR1 (0.68) KDM4EALDH1A1ESR1TP53CYP1A2
SCHEMBL82435 0.71 HRH3 (0.73) PSMB1PSMB5KDM4EHRH3MAPK14
SCHEMBL13297167 0.71 KDM4E (0.82) PSMB1PSMB5KDM4EALDH1A1TSHR
SCHEMBL12035585 0.71 HRH3 (0.73) PSMB1PSMB5KDM4EHRH3MAPK14
SCHEMBL4547955 0.71 KDM4E (0.70) PSMB1PSMB5KDM4EALDH1A1HRH3

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 PSMB1 2991/4885PSMB5 1602/4885KDM4E 2116/4885

“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.