SCHEMBL562080

SCHEMBL562080

O=C(Cl)c1ccn(Cc2ccccc2Oc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP19A1 P11511 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
FAAH O00519 1/20 0.44
PTGER1 P34995 2/20 0.43
CCR8 P51685 3/20 0.41
KCNH2 Q12809 3/20 0.41
KDM4C Q9H3R0 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HRH1 P35367 1/20 0.39
CXCL8 P10145 1/20 0.39
RIPK1 Q13546 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL560934 0.90 PTGER1 (0.52) MEN1NPC1RAB9AKMT2ACYP19A1
SCHEMBL560947 0.83 KMT2A (0.51) MEN1NPC1RAB9AKMT2ACYP19A1
SCHEMBL561007 0.81 KMT2A (0.51) MEN1NPC1RAB9AKMT2AHDAC1
SCHEMBL561619 0.81 SMN1; SMN2 (0.46) MEN1NPC1RAB9AKMT2ACYP19A1
SCHEMBL561638 0.79 NPC1 (0.43) MEN1NPC1RAB9AKMT2ACYP19A1
SCHEMBL562123 0.79 KMT2A (0.49) MEN1NPC1RAB9AKMT2APTGER1
SCHEMBL561065 0.78 NPC1 (0.51) MEN1NPC1RAB9AKMT2APTGER1
SCHEMBL18338470 0.77 HDAC1 (0.57) MEN1NPC1RAB9AKMT2ACYP19A1
SCHEMBL562253 0.77 RAB9A (0.45) MEN1NPC1RAB9AKMT2APTGDR2
SCHEMBL695045 0.77 ALDH1A1 (0.57) MEN1KMT2ACYP19A1PTGDR2FAAH

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 MEN1 4118/4885NPC1 2163/4885RAB9A 1294/4885

“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.