SCHEMBL561007

SCHEMBL561007

O=C(Nc1ccccc1F)c1ccn(Cc2ccccc2Oc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 5/20 0.44
MAPT P10636 2/20 0.44
STAT3 P40763 2/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL561619 0.90 SMN1; SMN2 (0.46) KMT2AL3MBTL1TDP1NPC1RAB9A
SCHEMBL561065 0.86 NPC1 (0.51) KMT2AL3MBTL1TDP1NPC1RAB9A
SCHEMBL561638 0.86 NPC1 (0.43) KMT2AL3MBTL1TDP1NPC1RAB9A
SCHEMBL562253 0.85 RAB9A (0.45) KMT2AL3MBTL1TDP1NPC1RAB9A
SCHEMBL561357 0.84 SMN1; SMN2 (0.45) KMT2AL3MBTL1NPC1RAB9AMEN1
SCHEMBL561303 0.83 SMN1; SMN2 (0.48) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL561263 0.81 SMN1; SMN2 (0.47) KMT2AL3MBTL1NPC1RAB9AMEN1
SCHEMBL562080 0.81 MEN1 (0.49) KMT2AL3MBTL1TDP1NPC1RAB9A
SCHEMBL560934 0.81 PTGER1 (0.52) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL561551 0.81 PYGL (0.47) KMT2ANPC1RAB9AMEN1SMN1; 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 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 3378/4885L3MBTL1 4403/4885TDP1 1501/4885

“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.