SCHEMBL5796816

SCHEMBL5796816

COc1ccc(-c2oncc2CCC(=O)Nc2ccc(C[P]3(O)OCCCO3)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 2/20 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
SCHEMBL5796809 0.93 MAPT (0.47) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL5799418 0.86 GPR183 (0.36) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL5800098 0.85 MCHR1 (0.43) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL5798611 0.85 MCHR1 (0.43) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL5796443 0.85 MAPT (0.38) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL5796813 0.85 MAPT (0.47) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL5796394 0.84 MCHR1 (0.37) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL5799130 0.84 MCHR1 (0.34) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL5799407 0.84 MCHR1 (0.35) MAPTLMNANPSR1HSD17B10
SCHEMBL5795672 0.82 MAPT (0.40) MAPTKMT2AMEN1HTTSMN1; SMN2

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR MAPT 4701/4885KMT2A 3907/4885KDM4E 3953/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MAPT 4763/4885KMT2A 2906/4885KDM4E 3347/4885

“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.