SCHEMBL5527489

SCHEMBL5527489

COc1ccc(-c2cc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c3ccccc3n2)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.79
KMT2A Q03164 1/20 0.65
HTT P42858 4/20 0.64
LMNA P02545 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
KDM4E B2RXH2 6/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 3/20 0.64
NPSR1 Q6W5P4 1/20 0.64
BCHE P06276 1/20 0.63
WNK1 Q9H4A3 1/20 0.61
GLA P06280 1/20 0.60
TDP1 Q9NUW8 4/20 0.60
POLB P06746 1/20 0.60
HSD17B10 Q99714 3/20 0.59
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57

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
SCHEMBL5530240 0.87 BCHE (0.83) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL5532737 0.81 KMT2A (0.74) KMT2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL8237346 0.80 BCHE (0.80) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL5529457 0.80 HTT (0.80) ACACBKMT2AHTTLMNASMN1; SMN2
SCHEMBL8237905 0.80 KMT2A (0.84) KMT2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5529214 0.78 HTT (0.89) ACACBKMT2AHTTLMNASMN1; SMN2
SCHEMBL5529559 0.77 KMT2A (0.83) KMT2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL14437452 0.77 KMT2A (0.69) KMT2ALMNAKDM4EALDH1A1HPGD
SCHEMBL5534950 0.75 KDM4E (0.89) KMT2ALMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL5527493 0.75 KMT2A (0.61) KMT2ALMNAKDM4EALDH1A1HPGD

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
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ACACB 2337/4885KMT2A 2807/4885HTT 462/4885

“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.