SCHEMBL267897

SCHEMBL267897

COC(=O)c1cc(NC(=O)CCCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 7/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
CASP3 P42574 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL16730297 0.79 ALDH1A1 (0.53) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL1083207 0.79 MAPT (0.60) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL5786241 0.79 L3MBTL1 (0.58) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL18792896 0.78 KMT2A (0.52) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL29793795 0.78 TDP1 (0.54) KDM4EL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL28402757 0.78 TDP1 (0.54) KDM4EL3MBTL1ALDH1A1HPGDLMNA
SCHEMBL267907 0.78 TDP1 (0.57) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL31665134 0.76 SIRT6 (0.54) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL6792379 0.75 SIRT6 (0.56) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL5216830 0.75 MAPT (0.49) KMT2AMEN1MAPTL3MBTL1ALDH1A1

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 KMT2A 4564/4885MEN1 1194/4885KDM4E 4468/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KMT2A 4603/4885MEN1 1638/4885KDM4E 4535/4885

“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.