SCHEMBL268716

SCHEMBL268716

COc1ccc(/C=N/NC(=O)c2cc(N3CCOCC3)ccc2NC(=O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.61
KDM4E B2RXH2 12/20 0.61
ALDH1A1 P00352 9/20 0.61
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
POLB P06746 4/20 0.61
PKM P14618 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
HPGD P15428 2/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 1/20 0.51
PAX8 Q06710 1/20 0.51
HTT P42858 2/20 0.49
BLM P54132 1/20 0.48
OPRK1 P41145 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL268717 1.00 MAPT (0.61) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL267996 0.90 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL267160 0.90 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL267161 0.90 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL267995 0.90 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL268052 0.82 KMT2A (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL268051 0.82 KMT2A (0.58) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL267988 0.82 NPC1 (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL267987 0.82 NPC1 (0.52) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL269502 0.81 KDM4E (0.49) MAPTKDM4EALDH1A1MEN1KMT2A

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 MAPT 4195/4885KDM4E 4468/4885ALDH1A1 3022/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 MAPT 4648/4885KDM4E 4535/4885ALDH1A1 2872/4885

“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.