SCHEMBL560811

SCHEMBL560811

CCCCOc1ccccc1Cn1ccc(C(=O)Nc2c(F)cncc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
F2 P00734 1/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
STAT3 P40763 2/20 0.43
MAPT P10636 1/20 0.43
PDE4D Q08499 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
HPGD P15428 2/20 0.39
NR3C1 P04150 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 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
SCHEMBL561125 0.92 SMN1; SMN2 (0.46) NPC1RAB9AKMT2AMEN1F2
SCHEMBL562087 0.88 KMT2A (0.45) NPC1RAB9AKMT2AMEN1F2
SCHEMBL562353 0.87 NPC1 (0.51) NPC1RAB9AKMT2AMEN1F2
SCHEMBL561365 0.87 KMT2A (0.48) NPC1RAB9AKMT2AMEN1F2
SCHEMBL561638 0.83 NPC1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL561556 0.83 SMN1; SMN2 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL561142 0.81 PTGER1 (0.56) NPC1RAB9ASMN1; SMN2LMNAPDE4D
SCHEMBL562123 0.81 KMT2A (0.49) NPC1RAB9AKMT2AMEN1F2
SCHEMBL561785 0.80 SMN1; SMN2 (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL561391 0.79 PTGER1 (0.54) NPC1RAB9AKMT2AMEN1F2

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 7 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
EP-2421834-A1 PYRAZOLE AND TRIAZOLE CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP 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
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
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 NPC1 2163/4885RAB9A 1294/4885KMT2A 3378/4885

“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.