SCHEMBL267436

SCHEMBL267436

COC(=O)c1cc(OCCCN2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
HTT P42858 1/20 0.61
ALDH1A1 P00352 5/20 0.57
MAOB P27338 6/20 0.55
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL1623288 0.82 KDM4E (0.62) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL4255397 0.82 TDP1 (0.55) KMT2AALDH1A1MAOBPOLBMAPT
SCHEMBL267674 0.82 MAOB (0.59) KDM4EKMT2AALDH1A1MAOBPOLB
SCHEMBL267907 0.81 TDP1 (0.57) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL29380601 0.81 KDM4E (0.59) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL21814293 0.81 KDM4E (0.59) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL19260738 0.80 ALDH1A1 (0.54) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL14419242 0.80 KDM4E (0.78) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL21814277 0.80 KDM4E (0.61) KDM4EKMT2AMEN1HTTALDH1A1
SCHEMBL268658 0.80 TDP1 (0.55) KDM4EKMT2AMEN1HTTALDH1A1

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

“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.