SCHEMBL597455

SCHEMBL597455

COc1ccc(-n2nc(C)cc2C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
PTGS2 P35354 8/20 0.54
PTGS1 P23219 5/20 0.54
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL15420161 0.84 PTGS2 (0.69) PTGS2PTGS1CYP1A2CYP2C9CYP2C19
SCHEMBL24185597 0.81 TP53 (0.50) PTGS2PTGS1MAPK1CYP1A2CYP2C19
SCHEMBL16202075 0.81 POLB (0.55) LMNAPTGS2PTGS1HPGDCYP1A2
SCHEMBL597566 0.81 ALDH1A1 (0.45) LMNAPTGS2PTGS1MAPK1CYP1A2
SCHEMBL3281219 0.80 MAPK1 (0.56) PTGS1HPGDMAPK1HSD17B10CYP1A2
SCHEMBL6174608 0.78 LMNA (0.70) LMNAPTGS2PTGS1HPGDHSD17B10
SCHEMBL31503993 0.78 USP1 (0.43) PTGS2PTGS1ALDH1A1POLBMAPT
SCHEMBL28236656 0.78 TRPC3 (0.48) PTGS2PTGS1HPGDMAPK1NPSR1
SCHEMBL18865550 0.77 SLC34A1 (0.44) PTGS2PTGS1NPSR1ALDH1A1MAPT
SCHEMBL3560066 0.77 ALDH1A1 (0.46) LMNAPTGS2PTGS1HPGDNPSR1

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 3 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
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

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 LMNA 4465/4885PTGS2 14/4885PTGS1 20/4885

“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.