SCHEMBL268309

SCHEMBL268309

CCN(CC)Cc1cccc(C(=O)Nc2sc(CN3CCCCC3)c(C)c2C(=O)NN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
GAA P10253 3/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 5/20 0.40
HPGD P15428 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
PTGER1 P34995 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
BCHE P06276 2/20 0.38
GLS O94925 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
SCHEMBL267793 0.90 MEN1 (0.49) RAB9ASMN1; SMN2NPC1LMNAMAPK1
SCHEMBL268834 0.83 MAPT (0.45) RAB9ASMN1; SMN2NPC1LMNAMAPK1
SCHEMBL266043 0.80 SLC34A2 (0.60) RAB9ASMN1; SMN2NPC1LMNAMAPK1
SCHEMBL268480 0.70 SLC2A1 (0.53) SMN1; SMN2MAPK1ALDH1A1MAPTKDM4E
SCHEMBL6583311 0.69 CYP2D6 (0.68) RAB9ASMN1; SMN2NPC1LMNAMAPK1
SCHEMBL266625 0.68 MEN1 (0.55) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL266049 0.68 KMT2A (0.54) RAB9ANPC1MAPTKDM4EMEN1
SCHEMBL8481284 0.66 GLS (0.53) RAB9ASMN1; SMN2NPC1LMNAMAPK1
SCHEMBL19330021 0.66 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1LMNAMAPK1
SCHEMBL6507215 0.66 CHEK1 (0.62) RAB9ASMN1; SMN2NPC1LMNAMAPK1

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 RAB9A 883/4885SMN1; SMN2 3975/4885NPC1 102/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 RAB9A 1362/4885SMN1; SMN2 4253/4885NPC1 115/4885

“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.