SCHEMBL267625

SCHEMBL267625

CCN(CC)CCN(C)Cc1cccc(C(=O)Nc2c(C)csc2C(=O)NN=Cc2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
KMT2A Q03164 7/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 5/20 0.45
SLC34A2 O95436 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 7/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 3/20 0.40
CTDSP1 Q9GZU7 2/20 0.40
LMNA P02545 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
PLEC Q15149 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 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
SCHEMBL267624 1.00 RAB9A (0.45) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL266602 0.94 SLC34A2 (0.43) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL266601 0.94 SLC34A2 (0.43) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL267124 0.93 SLC34A2 (0.43) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL267125 0.93 SLC34A2 (0.43) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL266163 0.92 KDM4E (0.43) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL266162 0.92 KDM4E (0.43) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL267417 0.92 SLC34A2 (0.44) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL267418 0.92 SLC34A2 (0.44) RAB9AKMT2ANPC1MEN1SLC34A2
SCHEMBL266139 0.88 SLC34A2 (0.49) RAB9AKMT2ANPC1MEN1SLC34A2

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 883/4885KMT2A 4564/4885NPC1 102/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 RAB9A 1362/4885KMT2A 4603/4885NPC1 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.