SCHEMBL268074

SCHEMBL268074

COc1ccc(C(=O)Nc2ccccc2C(=O)NN=Cc2ccccc2)cc1OC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.85
PKM P14618 6/20 0.85
RAB9A P51151 5/20 0.85
KDM4E B2RXH2 5/20 0.73
HTT P42858 3/20 0.73
OPRK1 P41145 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
CHEK1 O14757 1/20 0.67
PIM1 P11309 1/20 0.67
MAPK8 P45983 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
MAPT P10636 5/20 0.64
HPGD P15428 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
ALOX12 P18054 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ALDH1A1 P00352 3/20 0.64
GCGR P47871 1/20 0.56

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
SCHEMBL268073 1.00 NPC1 (0.85) NPC1PKMRAB9AKDM4EHTT
SCHEMBL267887 0.94 PKM (0.79) NPC1PKMRAB9AKDM4EHTT
SCHEMBL273559 0.94 PKM (0.79) NPC1PKMRAB9AKDM4EHTT
SCHEMBL267010 0.94 PKM (0.81) NPC1PKMRAB9AKDM4EHTT
SCHEMBL267011 0.94 PKM (0.81) NPC1PKMRAB9AKDM4EHTT
SCHEMBL266395 0.93 PKM (0.77) NPC1PKMRAB9AKDM4EHTT
SCHEMBL266394 0.93 PKM (0.77) NPC1PKMRAB9AKDM4EHTT
SCHEMBL266928 0.92 NPC1 (0.79) NPC1PKMRAB9AKDM4EHTT
SCHEMBL265701 0.92 NPC1 (0.79) NPC1PKMRAB9AKDM4EHTT
SCHEMBL265702 0.92 NPC1 (0.79) NPC1PKMRAB9AKDM4EHTT

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 NPC1 102/4885PKM 1697/4885RAB9A 883/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885PKM 1916/4885RAB9A 1362/4885

“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.