SCHEMBL696249

SCHEMBL696249

Cc1cc(OCc2ccccc2)ccc1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
S1PR5 Q9H228 1/20 0.54
ALOX5 P09917 1/20 0.53
MAOB P27338 8/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
PKM P14618 1/20 0.48
MAOA P21397 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 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
SCHEMBL15275222 0.85 MAOB (0.56) S1PR1S1PR5ALOX5MAOBNPC1
SCHEMBL12158512 0.85 S1PR1 (0.59) S1PR1S1PR5ALOX5MAOBNPC1
SCHEMBL8762006 0.85 ALOX5 (0.58) ALOX5MAOBRAB9AL3MBTL1MAOA
SCHEMBL695873 0.84 S1PR1 (0.57) S1PR1S1PR5ALOX5MAOBNPC1
SCHEMBL27742512 0.84 S1PR1 (0.54) S1PR1S1PR5ALOX5MAOBNPC1
SCHEMBL24372036 0.84 MAOB (0.56) S1PR1S1PR5ALOX5MAOBNPC1
SCHEMBL23004579 0.84 MAOB (0.61) MAOBMAOA
SCHEMBL30398485 0.84 MAOB (0.61) MAOBMAOA
SCHEMBL8335885 0.81 ALOX5 (0.61) ALOX5MAOBNPC1RAB9AL3MBTL1
SCHEMBL694957 0.81 S1PR1 (0.54) S1PR1S1PR5ALOX5MAOBNPC1

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 S1PR1 1071/4885S1PR5 995/4885ALOX5 1580/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 S1PR1 1013/4885S1PR5 987/4885ALOX5 56/4885

“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.