SCHEMBL5612835

SCHEMBL5612835

[CH2]c1ccc(Oc2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.59
ALDH1A1 P00352 4/20 0.59
POLB P06746 2/20 0.59
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 2/20 0.52
CA12 O43570 1/20 0.52
BRD4 O60885 1/20 0.52
NR1I2 O75469 1/20 0.52

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
SCHEMBL6516221 0.90 KMT2A (0.73) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL95420 0.88 SMN1; SMN2 (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL18826484 0.85 KMT2A (0.66) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL14192610 0.83 KMT2A (0.63) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL5612841 0.83 TDP1 (0.77) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL14384396 0.83 MTNR1A (0.76) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL2844063 0.83 KMT2A (0.77) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL171438 0.83 HPGD (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL3547563 0.81 PKM (0.62) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL11507112 0.81 MAPT (0.70) KMT2AMEN1SMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285552-B2 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2007-10-23 US disclosed
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US disclosed
US-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-26 US disclosed
EP-1553098-A1 SPIROHETEROCYCLIC DERIVATIVE COMPOUNDS AND DRUGS COMPRISING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
EP-1236726-B1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2004-12-01 EP disclosed
US-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient ONO PHARMACEUTICALS CO., LTD. (JP) 2004-06-03 US disclosed
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient PANASONIC CORPORATION (JP) 2004-05-20 US disclosed
EP-1378509-A1 DRUGS CONTAINING TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-07 EP disclosed
EP-1236726-A1 TRIAZASPIRO 5.5]UNDECANE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-09-04 EP 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 (3 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-20040106619-A1 Drugs containing triazaspiro[5.5]undecane derivatives as the active ingredient NONO, NAA15, USO1 KMT2A 2233/4885MEN1 4685/4885SMN1; SMN2 4304/4885
US-20060019977-A1 Spiroheterocyclic derivative compounds and drugs comprising the compound as the active ingredient CCR1, ACKR3, CCR10 KMT2A 2776/4885MEN1 4518/4885SMN1; SMN2 4754/4885
US-20040097511-A1 Triazaspiro[5.5]undecane derivatives and drugs containing the same as the active ingredient CXCR5, CCL11, ACKR3 KMT2A 4140/4885MEN1 4863/4885SMN1; SMN2 4815/4885

“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.