SCHEMBL22490866

SCHEMBL22490866

O=C(NCC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CHRM4 P08173 6/20 0.51
SPHK2 Q9NRA0 2/20 0.50
SPHK1 Q9NYA1 1/20 0.50
NCOR2 Q9Y618 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP10 Q53GL7 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 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
SCHEMBL22490902 0.79 CHRNB2 (0.52) KMT2APARP10SMN1; SMN2NR4A1NR4A2
SCHEMBL23488641 0.78 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL22490915 0.77 PARP10 (0.49) MEN1KMT2APARP10NPC1RAB9A
SCHEMBL22490933 0.77 PARP10 (0.49) MEN1KMT2APARP10NPC1RAB9A
SCHEMBL22490875 0.77 PARP10 (0.49) MEN1KMT2APARP10NPC1RAB9A
SCHEMBL23488135 0.77 CA1 (0.61) HDAC3HDAC1HDAC2NCOR2MEN1
SCHEMBL6716502 0.76 MEN1 (0.79) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL7296744 0.76 SPHK2 (0.80) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL22490883 0.75 EGFR (0.49) PARP10RAB9ASMN1; SMN2MAPTNR4A1
SCHEMBL10289219 0.75 HDAC3 (0.78) HDAC3HDAC1HDAC2HDAC4HDAC7

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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN SANOFI (FR) 2021-06-10 US disclosed
EP-3717463-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN Sanofi (FR) 2020-10-07 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-20210170033-A1 NOVEL CONJUGATES OF A PHARMACEUTICAL AGENT AND A MOIETY CAPABLE OF BINDING TO A GLUCOSE SENSING PROTEIN GPR119, SLC2A8, SLC2A4 HDAC3 4081/4885HDAC1 3911/4885HDAC2 4480/4885

“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.