SCHEMBL268490

SCHEMBL268490

Cc1ccc(C=NNC(=O)c2cscc2NC(=O)c2cccc(CN3CCN(CCO)CC3)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
ENPP2 Q13822 3/20 0.41
SLC34A2 O95436 4/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACKR3 P25106 1/20 0.38
ACHE P22303 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL268489 1.00 HPGDS (0.42) HPGDSENPP2SLC34A2POLBL3MBTL1
SCHEMBL269362 0.92 NPC1 (0.43) HPGDSENPP2SLC34A2POLBL3MBTL1
SCHEMBL269363 0.92 NPC1 (0.43) HPGDSENPP2SLC34A2POLBL3MBTL1
SCHEMBL268499 0.89 ACHE (0.49) ENPP2POLBL3MBTL1ACHERAB9A
SCHEMBL268498 0.89 ACHE (0.49) ENPP2POLBL3MBTL1ACHERAB9A
SCHEMBL267946 0.88 SLC34A2 (0.48) ENPP2SLC34A2ACKR3RAB9ACYP1A2
SCHEMBL267947 0.88 SLC34A2 (0.48) ENPP2SLC34A2ACKR3RAB9ACYP1A2
SCHEMBL266896 0.88 MEN1 (0.42) HPGDSENPP2SLC34A2POLBL3MBTL1
SCHEMBL266895 0.88 MEN1 (0.42) HPGDSENPP2SLC34A2POLBL3MBTL1
SCHEMBL268257 0.85 SLC34A2 (0.56) ENPP2SLC34A2HDAC1

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 HPGDS 1517/4885ENPP2 178/4885SLC34A2 6/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 HPGDS 1526/4885ENPP2 191/4885SLC34A2 2/4885

“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.