SCHEMBL268282

SCHEMBL268282

COc1ccc(C=NNC(=O)c2cc(N3CCCC3=O)ccc2NC(=O)c2cccc(CN(CC(C)O)CC(C)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
GFER P55789 2/20 0.49
POLB P06746 2/20 0.49
F10 P00742 8/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.42

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
SCHEMBL268281 1.00 NPC1 (0.52) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL266112 0.93 KDM4E (0.51) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL266111 0.93 KDM4E (0.51) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL267076 0.92 ALDH1A1 (0.52) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL267075 0.92 ALDH1A1 (0.52) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL265718 0.90 KDM4E (0.48) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL265719 0.90 KDM4E (0.48) NPC1RAB9ATDP1ALDH1A1KDM4E
SCHEMBL269954 0.89 MAPT (0.44) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL269955 0.89 MAPT (0.44) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL274028 0.86 SLC34A2 (0.47) NPC1RAB9ATDP1ALDH1A1KDM4E

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 883/4885TDP1 4744/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885TDP1 4604/4885

“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.