SCHEMBL267022

SCHEMBL267022

Cc1cccc(/C=N/NC(=O)c2cscc2NC(=O)c2cccc(CN(CC(C)O)CC(C)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
HPGD P15428 4/20 0.44
GAA P10253 3/20 0.44
SMN1; SMN2 Q16637 6/20 0.41
RAB9A P51151 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SLC34A2 O95436 1/20 0.41
SLC34A1 Q06495 1/20 0.41
SLC34A3 Q8N130 1/20 0.41
SLC20A1 Q8WUM9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 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
SCHEMBL267023 1.00 NPC1 (0.44) NPC1HPGDGAASMN1; SMN2RAB9A
SCHEMBL267901 0.93 RAB9A (0.44) NPC1GAASMN1; SMN2RAB9ALMNA
SCHEMBL267902 0.93 RAB9A (0.44) NPC1GAASMN1; SMN2RAB9ALMNA
SCHEMBL266729 0.91 SLC34A2 (0.51) NPC1HPGDGAASMN1; SMN2RAB9A
SCHEMBL268114 0.91 SLC34A2 (0.39) NPC1HPGDSMN1; SMN2RAB9ALMNA
SCHEMBL268115 0.91 SLC34A2 (0.39) NPC1HPGDSMN1; SMN2RAB9ALMNA
SCHEMBL266730 0.91 SLC34A2 (0.51) NPC1HPGDGAASMN1; SMN2RAB9A
SCHEMBL268295 0.87 MAPT (0.47) NPC1HPGDGAASMN1; SMN2RAB9A
SCHEMBL268294 0.87 MAPT (0.47) NPC1HPGDGAASMN1; SMN2RAB9A
SCHEMBL269203 0.85 SLC34A2 (0.49) NPC1SMN1; SMN2RAB9ALMNASLC34A2

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 8 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-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-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-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-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 102/4885HPGD 2509/4885GAA 1336/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885HPGD 2407/4885GAA 1640/4885

“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.