SCHEMBL756024

SCHEMBL756024

O=C1c2ccccc2C(=O)N1c1ccn(Cc2ccccc2OCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.47
GRM5 P41594 3/20 0.44
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
GAA P10253 2/20 0.40
ABCB1 P08183 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL696460 0.83 CYP19A1 (0.45) GRM5GAANR1H2NR1H3MEN1
SCHEMBL2115672 0.81 CACNA1G (0.47) ALDH1A1NR1H2NR1H3
SCHEMBL694365 0.77 ALDH1A1 (0.56) PTGER1HTR1ADRD2ALDH1A1POLB
SCHEMBL12468720 0.75 ALDH1A1 (0.38) GRM5ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL2114944 0.71 MEN1 (0.37) ALDH1A1LMNASMN1; SMN2NR1H2NR1H3
SCHEMBL18762166 0.70 PTGER1 (0.78) PTGER1ALDH1A1LMNAMAPTSTAT3
SCHEMBL15162641 0.69 CACNA1G (0.38) GRM5ALDH1A1POLBGAALMNA
SCHEMBL4095690 0.68 PTGER1 (0.64) PTGER1
SCHEMBL561255 0.67 SMN1; SMN2 (0.58) PTGER1ALDH1A1GAALMNAMAPT
SCHEMBL14124890 0.67 KMT2A (0.48) GRM5ALDH1A1LMNAMAPTKDM4E

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 3 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
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 PTGER1 627/4885GRM5 1007/4885HTR1A 1769/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 PTGER1 247/4885GRM5 1775/4885HTR1A 2676/4885

“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.