SCHEMBL40467

SCHEMBL40467

COC(=O)c1cc(N2CCCCC2)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.66
KDM4E B2RXH2 6/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 6/20 0.51
MAPT P10636 5/20 0.51
GAA P10253 4/20 0.51
S100B P04271 2/20 0.51
ALOX15 P16050 2/20 0.51
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSD17B10 Q99714 3/20 0.51

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
SCHEMBL20509930 0.98 IP6K1 (0.68) IP6K1KDM4ENPC1RAB9ANPSR1
SCHEMBL27170961 0.87 SIRT6 (0.64) IP6K1KDM4ENPC1RAB9ANPSR1
SCHEMBL9344830 0.86 LGMN (0.54) IP6K1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL268116 0.85 IP6K1 (0.61) IP6K1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3272400 0.83 IP6K1 (0.49) IP6K1KDM4ENPC1RAB9ANPSR1
SCHEMBL11736864 0.83 IP6K1 (0.71) IP6K1KDM4ENPC1RAB9ANPSR1
SCHEMBL20209314 0.83 IP6K1 (0.62) IP6K1KDM4ENPC1RAB9ANPSR1
SCHEMBL4303851 0.83 KDM4E (0.49) IP6K1KDM4ENPC1RAB9ANPSR1
Hydrochloric Acid SCHEMBL3271692 0.82 IP6K1 (0.48) IP6K1KDM4ENPC1RAB9ANPSR1
SCHEMBL194980 0.82 SIRT6 (0.49) IP6K1KDM4ENPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
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
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO 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 (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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 IP6K1 355/4885KDM4E 4411/4885NPC1 160/4885
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 IP6K1 1060/4885KDM4E 4468/4885NPC1 102/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 IP6K1 704/4885KDM4E 4535/4885NPC1 115/4885

“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.