SCHEMBL755458

SCHEMBL755458

O=C(Nc1ccn(Cc2cc(Cl)ccc2C(F)(F)F)n1)c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PTGER1 P34995 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 4/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
STIM1 Q13586 2/20 0.50
ORAI1 Q96D31 2/20 0.50
ORAI3 Q9BRQ5 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
GRM5 P41594 1/20 0.46
GAA P10253 1/20 0.46
CACNA1G O43497 2/20 0.46
CACNA1H O95180 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
SCHEMBL758509 0.92 STIM1 (0.57) KDM4EPTGER1SMN1; SMN2LMNANPC1
SCHEMBL759178 0.91 STIM1 (0.56) KDM4EPTGER1SMN1; SMN2LMNANPC1
SCHEMBL756325 0.90 LMNA (0.49) KDM4EPTGER1SMN1; SMN2LMNANPC1
SCHEMBL756922 0.90 STIM1 (0.59) PTGER1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL757450 0.90 STIM1 (0.53) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL708750 0.84 STIM1 (0.55) KDM4EPTGER1SMN1; SMN2LMNANPC1
SCHEMBL755374 0.84 STIM1 (0.71) PTGER1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL758182 0.83 STIM1 (0.64) KDM4EPTGER1SMN1; SMN2LMNANPC1
SCHEMBL757149 0.82 STIM1 (0.62) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL757550 0.82 STIM1 (0.55) KDM4EPTGER1SMN1; SMN2LMNANPC1

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-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
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
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US 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
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US 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 KDM4E 2633/4885PTGER1 627/4885SMN1; SMN2 2239/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 KDM4E 1410/4885PTGER1 247/4885SMN1; SMN2 3063/4885

“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.