SCHEMBL267724

SCHEMBL267724

O=C(Nc1ccc(I)cc1C(=O)NN=Cc1ccc(O)cc1)c1cccc(CN2CCC(N3CCCCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
PKM P14618 1/20 0.44
SLC34A2 O95436 5/20 0.42
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
SLC34A1 Q06495 1/20 0.38
SLC34A3 Q8N130 1/20 0.38
SLC20A1 Q8WUM9 1/20 0.38

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
SCHEMBL273682 1.00 NPC1 (0.44) NPC1RAB9AMAPTPKMSLC34A2
SCHEMBL273693 0.94 L3MBTL1 (0.44) NPC1RAB9AMAPTSLC34A2MEN1
SCHEMBL268087 0.94 L3MBTL1 (0.44) NPC1RAB9AMAPTSLC34A2MEN1
SCHEMBL274290 0.94 MEN1 (0.42) NPC1RAB9AMAPTSLC34A2SIGMAR1
SCHEMBL265952 0.94 MEN1 (0.42) NPC1RAB9AMAPTSLC34A2SIGMAR1
SCHEMBL268571 0.93 MEN1 (0.42) NPC1RAB9AMAPTSLC34A2SIGMAR1
SCHEMBL274134 0.93 MEN1 (0.42) NPC1RAB9AMAPTSLC34A2SIGMAR1
SCHEMBL265525 0.92 MAPT (0.47) NPC1RAB9AMAPTPKMSLC34A2
SCHEMBL273955 0.92 MAPT (0.47) NPC1RAB9AMAPTPKMSLC34A2
SCHEMBL268096 0.92 SLC34A2 (0.47) NPC1RAB9AMAPTPKMSLC34A2

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 102/4885RAB9A 883/4885MAPT 4195/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885MAPT 4648/4885

“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.