SCHEMBL21664016

SCHEMBL21664016

O=C(NCCOCCOCCOCCOc1ccccc1)c1ccc(C2=NCCS2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 1/20 0.42
SLC2A1 P11166 1/20 0.41
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL21664203 1.00 HDAC1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21664100 0.89 MGLL (0.45) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21663834 0.74 TDP1 (0.49) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21663786 0.73 RAB9A (0.48) SMN1; SMN2NPC1RAB9AHPGDAPOBEC3A
SCHEMBL21663774 0.73 RAB9A (0.48) SMN1; SMN2NPC1RAB9AHPGDAPOBEC3A
SCHEMBL21688988 0.73 NPC1 (0.42) SMN1; SMN2NPC1RAB9AHPGDSLC2A1
SCHEMBL21689080 0.72 CRBN (0.38) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21664083 0.72 TDP1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL21664126 0.72 TDP1 (0.47) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL4927652 0.72 ACKR3 (0.58) HDAC1HDAC3HDAC4HDAC7HDAC2

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-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US 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-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 HDAC1 4286/4885HDAC3 4836/4885HDAC4 4177/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 HDAC1 4286/4885HDAC3 4836/4885HDAC4 4177/4885

“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.