SCHEMBL560895

SCHEMBL560895

O=C(Nc1c(F)cccc1F)c1cnn(Cc2ccccc2I)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.40
SCD5 Q86SK9 2/20 0.40
PTGER1 P34995 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY5R Q15761 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
P2RY14 Q15391 1/20 0.36
HIF1A Q16665 2/20 0.35

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
SCHEMBL561805 0.82 PTGER1 (0.41) SCDSCD5PTGER1ALDH1A1MEN1
SCHEMBL561460 0.81 NPC1 (0.46) ALDH1A1RAB9AGAAHTTMEN1
SCHEMBL561016 0.79 PTGER1 (0.47) SCDSCD5PTGER1NPY5RCACNA1G
SCHEMBL561804 0.79 SIRT1 (0.34) RAB9AMEN1KMT2ALMNAATM
SCHEMBL560685 0.79 PTGER1 (0.41) PTGER1HIF1A
SCHEMBL561292 0.77 PTGER1 (0.40) PTGER1HIF1A
SCHEMBL560583 0.74 PTGER1 (0.71) PTGER1
SCHEMBL561285 0.72 PTGER1 (0.55) PTGER1RAB9A
SCHEMBL561657 0.71 CYP1A2 (0.42) ALDH1A1GAAKMT2ALMNAHPGD
SCHEMBL561314 0.68 SMN1; SMN2 (0.47) PTGER1ALDH1A1RAB9AGAAHTT

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 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
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 SCD 513/4885SCD5 1055/4885PTGER1 1951/4885

“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.