SCHEMBL266006

SCHEMBL266006

Cc1ccc(C=NNC(=O)c2c(NC(=O)c3cccc(CN(CC(C)O)CC(C)O)c3)sc(C)c2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SLC34A2 O95436 3/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PLA2G1B P04054 1/20 0.39
MAPK1 P28482 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL266005 1.00 NPC1 (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL268028 0.94 RAB9A (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL268027 0.94 RAB9A (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL267806 0.92 MAPT (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL267805 0.92 MAPT (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL267473 0.92 SLC34A2 (0.41) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL267474 0.92 SLC34A2 (0.41) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL268263 0.88 NPC1 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL268262 0.88 NPC1 (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL266192 0.87 RAB9A (0.44) NPC1RAB9AMEN1KMT2AALDH1A1

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 883/4885MEN1 1194/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885MEN1 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.