SCHEMBL561981

SCHEMBL561981

CC(C)Oc1ccc(Cl)cc1Cn1ccc(C(=O)Nc2c(F)cccc2F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.53
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DHODH Q02127 2/20 0.41

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
SCHEMBL560938 0.89 PTGER1 (0.55) PTGER1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL562072 0.89 PTGER1 (0.56) PTGER1
SCHEMBL561589 0.87 PTGER1 (0.54) PTGER1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL561193 0.86 PTGER1 (0.56) PTGER1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL561142 0.85 PTGER1 (0.56) PTGER1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL562199 0.85 PTGER1 (0.59) PTGER1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL561320 0.85 PTGER1 (0.55) PTGER1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL560584 0.83 PTGER1 (0.72) PTGER1SMN1; SMN2NPSR1LMNAGAA
SCHEMBL561382 0.83 SMN1; SMN2 (0.47) PTGER1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL560971 0.83 PTGER1 (0.53) PTGER1SMN1; SMN2NPC1RAB9APOLB

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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 US disclosed
WO-2010122088-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO 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 (1 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-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS RYR2, PAICS, CTRC PTGER1 1951/4885SMN1; SMN2 3056/4885NPC1 2163/4885

“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.