SCHEMBL561365

SCHEMBL561365

CCCCOc1ccccc1Cn1ccc(C(=O)Nc2c(F)cccc2OC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
F2 P00734 1/20 0.48
ALOX15 P16050 1/20 0.48
PDE4D Q08499 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
STAT3 P40763 2/20 0.42
MAPT P10636 1/20 0.42
APLNR P35414 1/20 0.41
MAPK1 P28482 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PTGER1 P34995 1/20 0.40
HIF1A Q16665 1/20 0.40
PYGL P06737 1/20 0.39

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 0.94 SMN1; SMN2 (0.46) KMT2AF2ALOX15PDE4DNPC1
SCHEMBL562353 0.91 NPC1 (0.51) KMT2AF2ALOX15PDE4DNPC1
SCHEMBL561709 0.88 KMT2A (0.51) KMT2APDE4DNPC1RAB9AMEN1
SCHEMBL560811 0.87 NPC1 (0.43) KMT2AF2ALOX15PDE4DNPC1
SCHEMBL561556 0.86 SMN1; SMN2 (0.48) KMT2APDE4DNPC1RAB9AMEN1
SCHEMBL562253 0.85 RAB9A (0.45) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL561142 0.84 PTGER1 (0.56) PDE4DNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL561468 0.83 SMN1; SMN2 (0.55) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL561785 0.82 SMN1; SMN2 (0.49) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL561047 0.81 SMN1; SMN2 (0.46) KMT2ANPC1RAB9AMEN1ALDH1A1

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 KMT2A 3378/4885F2 3126/4885ALOX15 1971/4885

“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.