SCHEMBL267480

SCHEMBL267480

COc1cccc(C=NNC(=O)c2cc(I)ccc2NC(=O)c2cccc(CN3CCC(N4CCCCC4)CC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD4 P21917 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL273699 1.00 ACKR3 (0.47) ACKR3NPC1RAB9ATDP1KDM4E
SCHEMBL265525 0.94 MAPT (0.47) ACKR3NPC1RAB9AKDM4EKMT2A
SCHEMBL273955 0.94 MAPT (0.47) ACKR3NPC1RAB9AKDM4EKMT2A
SCHEMBL267032 0.92 SLC34A2 (0.47) ACKR3NPC1RAB9ATDP1KDM4E
SCHEMBL273739 0.92 SLC34A2 (0.47) ACKR3NPC1RAB9ATDP1KDM4E
SCHEMBL268571 0.92 MEN1 (0.42) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL274134 0.92 MEN1 (0.42) NPC1RAB9ATDP1KMT2AMAPT
SCHEMBL273680 0.91 ACKR3 (0.45) ACKR3TDP1KMT2AMAPTMEN1
SCHEMBL268140 0.91 ACKR3 (0.45) ACKR3TDP1KMT2AMAPTMEN1
SCHEMBL273677 0.89 SLC34A2 (0.49) ACKR3KMT2APKMMEN1SLC34A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ACKR3 751/4885NPC1 102/4885RAB9A 883/4885

“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.