SCHEMBL267869

SCHEMBL267869

COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)N/N=C/c2cccnc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
PKM P14618 1/20 0.58
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 2/20 0.51
OPRK1 P41145 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ABCB1 P08183 2/20 0.48
MAPT P10636 1/20 0.47
MYC P01106 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 2/20 0.46
HDAC1 Q13547 1/20 0.45
PSMD14 O00487 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL267870 1.00 NPC1 (0.58) NPC1RAB9APKMTDP1KDM4E
SCHEMBL267987 0.85 NPC1 (0.52) NPC1RAB9APKMTDP1KDM4E
SCHEMBL268051 0.85 KMT2A (0.58) NPC1RAB9APKMTDP1KDM4E
SCHEMBL267988 0.85 NPC1 (0.52) NPC1RAB9APKMTDP1KDM4E
SCHEMBL268052 0.85 KMT2A (0.58) NPC1RAB9APKMTDP1KDM4E
SCHEMBL264945 0.84 NPC1 (0.65) NPC1RAB9APKMTDP1KDM4E
SCHEMBL273623 0.84 NPC1 (0.65) NPC1RAB9APKMTDP1KDM4E
SCHEMBL273961 0.84 NPC1 (0.65) NPC1RAB9APKMTDP1KDM4E
SCHEMBL266256 0.84 NPC1 (0.65) NPC1RAB9APKMTDP1KDM4E
SCHEMBL269026 0.83 HTT (0.53) NPC1RAB9APKMTDP1KDM4E

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 8 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-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-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-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-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 883/4885PKM 1697/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 NPC1 115/4885RAB9A 1362/4885PKM 1916/4885

“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.