SCHEMBL5798799

SCHEMBL5798799

O=C(Cc1cnoc1-c1ccccc1)Nc1ccc(CP2(=O)OCCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 3/20 0.37
HTT P42858 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
WNT3A P56704 3/20 0.36
LMNA P02545 3/20 0.36
PKM P14618 1/20 0.36
FPR2 P25090 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL5796433 0.90 MAPT (0.38) MEN1KMT2ASMN1; SMN2NPC1HTT
SCHEMBL5798817 0.90 KMT2A (0.39) MEN1KMT2ASMN1; SMN2NPC1HTT
SCHEMBL5797994 0.89 HDAC3 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5798811 0.81 MEN1 (0.40) MEN1KMT2ASMN1; SMN2NPC1HTT
SCHEMBL5798599 0.81 MCHR1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1CYP2C9
SCHEMBL5800094 0.81 MCHR1 (0.43) MEN1KMT2AALDH1A1LMNAHDAC1
SCHEMBL5796443 0.81 MAPT (0.38) MEN1KMT2ASMN1; SMN2NPC1HTT
SCHEMBL5798002 0.79 HDAC3 (0.39) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5796387 0.79 MCHR1 (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5795651 0.78 MAPT (0.40) MEN1KMT2ASMN1; SMN2HTTALDH1A1

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 MEN1 2811/4885KMT2A 3907/4885SMN1; SMN2 3383/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885SMN1; SMN2 2449/4885

“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.