SCHEMBL696437

SCHEMBL696437

Clc1ccc(OCc2ccccc2)cc1CBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
MAOB P27338 8/20 0.50
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NSD2 O96028 1/20 0.46
ABL1 P00519 1/20 0.46
PPARG P37231 1/20 0.46
RIN1 Q13671 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
MAOA P21397 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL694957 0.87 S1PR1 (0.54) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL8762006 0.85 ALOX5 (0.58) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL695575 0.84 ALOX5 (0.53) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL28330023 0.82 ALOX5 (0.54) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL9064977 0.81 ALOX5 (0.50) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL135151 0.80 MRGPRX4 (0.53) ALOX5MAOBMRGPRX4PPARGRAB9A
SCHEMBL27676081 0.80 MAOB (0.57) ALOX5MAOBLMNACYP1A2PTGS1
SCHEMBL3114500 0.80 MAOB (0.50) ALOX5MAOBMRGPRX4MAOARAB9A
SCHEMBL3219429 0.78 MAOB (0.55) ALOX5MAOBLMNAL3MBTL1MAPT
SCHEMBL21327244 0.78 ALOX5 (0.58) ALOX5MAOBLMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (2 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E ALOX5 1580/4885MAOB 2348/4885LMNA 857/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 ALOX5 56/4885MAOB 396/4885LMNA 4198/4885

“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.