SCHEMBL694957

SCHEMBL694957

Clc1cc(OCc2ccccc2)ccc1CBr

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.54
PRKX P51817 1/20 0.54
ACVR1 Q04771 1/20 0.54
S1PR5 Q9H228 1/20 0.54
ALOX5 P09917 1/20 0.53
MAOB P27338 8/20 0.50
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
BCHE P06276 1/20 0.47
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

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
SCHEMBL3114500 0.92 MAOB (0.50) S1PR1PRKXACVR1S1PR5ALOX5
SCHEMBL696437 0.87 ALOX5 (0.53) S1PR1PRKXACVR1S1PR5ALOX5
SCHEMBL3114505 0.86 S1PR1 (0.43) S1PR1PRKXACVR1S1PR5ALOX5
SCHEMBL5672926 0.85 S1PR1 (0.55) S1PR1PRKXACVR1S1PR5ALOX5
SCHEMBL8762006 0.85 ALOX5 (0.58) ALOX5MAOBRAB9ASMN1; SMN2LMNA
SCHEMBL16355724 0.84 S1PR1 (0.57) S1PR1PRKXACVR1S1PR5ALOX5
SCHEMBL695003 0.84 S1PR1 (0.57) S1PR1PRKXACVR1S1PR5ALOX5
SCHEMBL23004581 0.84 MAOB (0.60) MAOBMAOA
SCHEMBL30398523 0.84 MAOB (0.60) MAOBMAOA
SCHEMBL1563484 0.82 S1PR1 (0.55) S1PR1PRKXACVR1S1PR5MAOB

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 1071/4885PRKX 607/4885ACVR1 1200/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 S1PR1 1013/4885PRKX 4097/4885ACVR1 3972/4885

“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.