SCHEMBL269363

SCHEMBL269363

Cc1ccc(C=NNC(=O)c2cscc2NC(=O)c2cccc(CN3CCN(CCO)CC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ENPP2 Q13822 3/20 0.43
HTT P42858 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC34A2 O95436 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGDS O60760 1/20 0.40
ALDH1A1 P00352 3/20 0.40
ACHE P22303 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL269362 1.00 NPC1 (0.43) NPC1RAB9AMEN1KMT2AENPP2
SCHEMBL268490 0.92 HPGDS (0.42) RAB9AENPP2POLBMAPTSLC34A2
SCHEMBL268489 0.92 HPGDS (0.42) RAB9AENPP2POLBMAPTSLC34A2
SCHEMBL268498 0.92 ACHE (0.49) NPC1RAB9AMEN1KMT2AENPP2
SCHEMBL268499 0.92 ACHE (0.49) NPC1RAB9AMEN1KMT2AENPP2
SCHEMBL267947 0.88 SLC34A2 (0.48) NPC1RAB9AMEN1KMT2AENPP2
SCHEMBL267946 0.88 SLC34A2 (0.48) NPC1RAB9AMEN1KMT2AENPP2
SCHEMBL267486 0.87 ACHE (0.43) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL267487 0.87 ACHE (0.43) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL268256 0.85 SLC34A2 (0.56) ENPP2SLC34A2

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 883/4885MEN1 1194/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885MEN1 1638/4885

“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.