SCHEMBL695045

SCHEMBL695045

Nc1ccn(Cc2ccccc2Oc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
CYP19A1 P11511 1/20 0.52
HRH1 P35367 1/20 0.47
FAAH O00519 1/20 0.45
MAOA P21397 3/20 0.45
SLC6A4 P31645 2/20 0.43
RIPK1 Q13546 1/20 0.43
SLC6A2 P23975 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ADCY10 Q96PN6 1/20 0.40
SMOX Q9NWM0 1/20 0.39
MPO P05164 1/20 0.38
TPO P07202 1/20 0.38
CYP3A4 P08684 1/20 0.38
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL560934 0.79 PTGER1 (0.52) MEN1KMT2ACYP19A1HRH1FAAH
SCHEMBL562080 0.77 MEN1 (0.49) ALDH1A1MEN1KMT2ACYP19A1HRH1
SCHEMBL696460 0.75 CYP19A1 (0.45) MEN1KMT2ACYP19A1HRH1FAAH
SCHEMBL3440030 0.73 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP19A1L3MBTL1
SCHEMBL3440017 0.73 KMT2A (0.66) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL560947 0.73 KMT2A (0.51) ALDH1A1MEN1KMT2ACYP19A1FAAH
SCHEMBL634581 0.72 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ACYP19A1L3MBTL1
SCHEMBL16050517 0.72 CYP19A1 (0.50) CYP19A1HRH1FAAHMAOASLC6A4
SCHEMBL17137840 0.70 FAAH (0.51) MEN1KMT2ACYP19A1HRH1FAAH
SCHEMBL19086755 0.70 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP19A1L3MBTL1

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 12 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-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
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
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 ALDH1A1 1857/4885MEN1 2873/4885KMT2A 3401/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 ALDH1A1 447/4885MEN1 3849/4885KMT2A 1734/4885

“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.