SCHEMBL560584

SCHEMBL560584

O=C(Nc1c(F)cccc1F)c1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.72
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
STAT3 P40763 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL7875050 0.93 PTGER1 (0.62) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL561269 0.91 PTGER1 (0.61) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL561232 0.91 PTGER1 (0.70) PTGER1
SCHEMBL562199 0.91 PTGER1 (0.59) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL7878855 0.90 PTGER1 (0.59) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL561613 0.90 PTGER1 (0.71) PTGER1LMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL562105 0.90 PTGER1 (0.59) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL561255 0.90 SMN1; SMN2 (0.58) PTGER1LMNANPSR1GAASMN1; SMN2
SCHEMBL561618 0.89 PTGER1 (0.60) PTGER1LMNANPSR1SMN1; SMN2ALDH1A1
SCHEMBL561320 0.87 PTGER1 (0.55) PTGER1LMNANPSR1GAASMN1; SMN2

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 4 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 claimed
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
US-20120035237-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANN EL INHIBITORS COE DIANE MARY (GB) 2012-02-09 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 (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 1951/4885LMNA 1433/4885NPSR1 3980/4885

“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.