SCHEMBL268499

SCHEMBL268499

COc1ccc(C=NNC(=O)c2cscc2NC(=O)c2cccc(CN3CCN(CCO)CC3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
MAPT P10636 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.42
ENPP2 Q13822 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 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
SCHEMBL268498 1.00 ACHE (0.49) ACHEMAPTKDM4EHPGDALDH1A1
SCHEMBL269362 0.92 NPC1 (0.43) ACHEMAPTHPGDALDH1A1NPC1
SCHEMBL269363 0.92 NPC1 (0.43) ACHEMAPTHPGDALDH1A1NPC1
SCHEMBL267540 0.89 ACHE (0.52) ACHEMAPTKDM4EHPGDALDH1A1
SCHEMBL267541 0.89 ACHE (0.52) ACHEMAPTKDM4EHPGDALDH1A1
SCHEMBL268490 0.89 HPGDS (0.42) ACHEMAPTRAB9APOLBENPP2
SCHEMBL268489 0.89 HPGDS (0.42) ACHEMAPTRAB9APOLBENPP2
SCHEMBL267947 0.86 SLC34A2 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL267946 0.86 SLC34A2 (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL269065 0.85 MAPT (0.47) ACHEMAPTKDM4EHPGDALDH1A1

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 ACHE 4048/4885MAPT 4195/4885KDM4E 4468/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 ACHE 3423/4885MAPT 4648/4885KDM4E 4535/4885

“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.