SCHEMBL269254

SCHEMBL269254

COc1ccc(NC(=O)c2ccc(OC)c(OC)c2)c(C(=O)N/N=C/c2cccc(C)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
PKM P14618 3/20 0.60
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 4/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
ALOX12 P18054 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
OPRK1 P41145 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.50
KCNK3 O14649 1/20 0.50

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
SCHEMBL269255 1.00 NPC1 (0.60) NPC1RAB9APKMMEN1KMT2A
SCHEMBL266759 0.93 RAB9A (0.63) NPC1RAB9APKMMEN1KMT2A
SCHEMBL266760 0.93 RAB9A (0.63) NPC1RAB9APKMMEN1KMT2A
SCHEMBL265407 0.91 RAB9A (0.60) NPC1RAB9APKMMEN1KMT2A
SCHEMBL265408 0.91 RAB9A (0.60) NPC1RAB9APKMMEN1KMT2A
SCHEMBL268616 0.90 RAB9A (0.59) NPC1RAB9APKMMEN1KMT2A
SCHEMBL267956 0.90 NPC1 (0.59) NPC1RAB9APKMMEN1KMT2A
SCHEMBL266900 0.90 RAB9A (0.59) NPC1RAB9APKMMEN1KMT2A
SCHEMBL267955 0.90 NPC1 (0.59) NPC1RAB9APKMMEN1KMT2A
SCHEMBL266901 0.90 RAB9A (0.59) NPC1RAB9APKMMEN1KMT2A

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.