SCHEMBL325874

SCHEMBL325874

O=C(OCc1ccccc1)c1ccn(Cc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HDAC1 Q13547 1/20 0.51
LMNA P02545 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
PTGER1 P34995 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
ALDH1A1 P00352 6/20 0.49
CACNA1G O43497 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
JMJD6 Q6NYC1 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL18338361 0.87 LMNA (0.65) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL18367351 0.84 KMT2A (0.71) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL22005555 0.82 TSHR (0.65) KMT2ANPC1RAB9ALMNATDP1
SCHEMBL2485700 0.81 HDAC1 (0.58) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL28670443 0.81 TDP1 (0.51) KMT2ALMNATDP1SLC6A2SLC6A3
SCHEMBL18338470 0.80 HDAC1 (0.57) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL27812967 0.79 KMT2A (0.50) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL4288842 0.78 HDAC1 (0.56) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL19659478 0.78 HDAC1 (0.56) KMT2AMEN1NPC1RAB9AHDAC1
SCHEMBL2524122 0.78 RAB9A (0.74) KMT2AMEN1NPC1RAB9ALMNA

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
EP-2590968-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS Novartis AG (CH) 2013-05-15 EP disclosed
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2013-05-02 US disclosed
CN-103080106-A Cyclic ether compounds useful as kinase inhibitors NOVARTIS AG 2013-05-01 CN disclosed
WO-2012004217-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-12 WO disclosed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 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 (2 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 KMT2A 1880/4885MEN1 3996/4885NPC1 2323/4885
US-20130109682-A1 CYCLIC ETHER COMPOUNDS USEFUL AS KINASE INHIBITORS PIM1, GSK3A, GSK3B KMT2A 691/4885MEN1 2862/4885NPC1 2570/4885

“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.