SCHEMBL7116339

SCHEMBL7116339

CC(=O)Nc1cccc(OBO)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 3/20 0.54
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 1/20 0.52
GAA P10253 2/20 0.52
AHR P35869 1/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CRHBP P24387 1/20 0.50
HTT P42858 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
SCHEMBL1886748 0.88 MTNR1A (0.56) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL14338249 0.81 MTNR1B (0.69) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL171425 0.81 MTNR1A (0.79) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL29875454 0.81 MTNR1A (0.79) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL13488649 0.81 MTNR1A (0.59) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL18904875 0.80 HDAC3 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1CYP1A2
SCHEMBL16215583 0.79 MTNR1A (0.58) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL2534228 0.79 GAA (0.58) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL359762 0.79 MEN1 (0.71) MTNR1AMTNR1BRAB9ASMN1; SMN2NPC1
SCHEMBL12722504 0.79 MEN1 (0.63) MTNR1AMTNR1BRAB9ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139442-A1 Vasoactive agents TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-24 US disclosed
EP-1262195-A1 VASOACTIVE AGENTS Takeda Chemical Industries, Ltd. (JP) 2002-12-04 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 (1 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-20030139442-A1 Vasoactive agents VIPR2, VIPR1, GPR4 MTNR1A 452/4885MTNR1B 282/4885RAB9A 3914/4885

“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.