SCHEMBL597464

SCHEMBL597464

Cc1c(C=O)cnn1-c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.43
CYP2C8 P10632 2/20 0.43
CYP2C9 P11712 2/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
GRM1 Q13255 1/20 0.41
MAPK1 P28482 1/20 0.41
NPBWR1 P48145 3/20 0.40
KDM4C Q9H3R0 1/20 0.40
MTOR P42345 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
S1PR4 O95977 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL10312521 0.86 RAB9A (0.46) NPC1RAB9AMAPTSMN1; SMN2HIF1A
SCHEMBL16245851 0.83 PKM (0.44) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL3321542 0.83 S1PR4 (0.52) CYP2C9NPC1RAB9AKDM4EMAPT
SCHEMBL1566534 0.83 MAPK1 (0.54) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL3326882 0.81 MTOR (0.39) RAB9AKDM4EMAPTSMN1; SMN2MAPK1
SCHEMBL598575 0.81 NPBWR1 (0.55) NPC1RAB9AMAPTSMN1; SMN2HIF1A
SCHEMBL6357575 0.76 LMNA (0.44) CYP2C9NPC1RAB9AMAPTHPGD
SCHEMBL20653935 0.74 OXTR (0.42) MAPTSMN1; SMN2MAPK1NPBWR1MCHR1
SCHEMBL13225549 0.71 HCAR2 (0.64) HCAR2CYP2C8CYP2C9NPC1RAB9A
SCHEMBL3327427 0.70 ALDH1A1 (0.46) CYP2C9KDM4ETP53SMN1; SMN2HIF1A

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 HCAR2 62/4885CYP2C8 168/4885CYP2C9 228/4885

“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.