SCHEMBL562123

SCHEMBL562123

CCCCOc1ccccc1Cn1ccc(C(=O)Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
PTGER1 P34995 2/20 0.43
F2 P00734 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
PPARD Q03181 1/20 0.40
PLA2G2A P14555 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NR1I2 O75469 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
SCHEMBL561391 0.89 PTGER1 (0.54) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL561325 0.86 KMT2A (0.50) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL561125 0.82 SMN1; SMN2 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL560811 0.81 NPC1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL562080 0.79 MEN1 (0.49) KMT2AMEN1NPC1RAB9AL3MBTL1
SCHEMBL561365 0.79 KMT2A (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL562353 0.79 NPC1 (0.51) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL562087 0.78 KMT2A (0.45) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3067259 0.73 STIM1 (0.54) NPC1RAB9AALDH1A1TSHRPTGER1
SCHEMBL18338470 0.72 HDAC1 (0.57) KMT2AMEN1NPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 3378/4885MEN1 4118/4885NPC1 2163/4885

“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.