SCHEMBL268659

SCHEMBL268659

CCOc1cc(OC)cc(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 6/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
CYP2C19 P33261 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 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
SCHEMBL11163786 0.87 PKM (0.47) TDP1SMN1; SMN2KMT2APKMALDH1A1
SCHEMBL30926055 0.87 PKM (0.47) TDP1SMN1; SMN2KMT2APKMALDH1A1
SCHEMBL27237644 0.79 GAA (0.51) TDP1SMN1; SMN2KMT2APKMALDH1A1
SCHEMBL28817092 0.79 SMN1; SMN2 (0.49) TDP1SMN1; SMN2KMT2APKMALDH1A1
SCHEMBL26401575 0.78 ALDH1A1 (0.51) TDP1SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL3471733 0.77 PKM (0.60) TDP1SMN1; SMN2PKMALDH1A1HTT
SCHEMBL1116017 0.77 KDM4E (0.45) TDP1SMN1; SMN2KMT2APKMALDH1A1
SCHEMBL267613 0.77 KDM4E (0.49) TDP1SMN1; SMN2KMT2AALDH1A1CYP2C19
SCHEMBL9272063 0.76 TSHR (0.40) TDP1SMN1; SMN2KMT2APKMALDH1A1
SCHEMBL27009292 0.75 TDP1 (0.64) TDP1KMT2AALDH1A1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 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 (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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 TDP1 4744/4885SMN1; SMN2 3975/4885KMT2A 4564/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 TDP1 4604/4885SMN1; SMN2 4253/4885KMT2A 4603/4885

“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.