SCHEMBL26459809

SCHEMBL26459809

CC(C)(C)C(=S)Nc1ccc(CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.43
S1PR1 P21453 1/20 0.37
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
REV1 Q9UBZ9 1/20 0.36
SLC6A9 P48067 1/20 0.36
TACR1 P25103 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
POLB P06746 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FOLH1 Q04609 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL17922703 0.88 ALB (0.45) ALBS1PR1KMT2AALDH1A1MAPT
SCHEMBL17922626 0.86 ALB (0.44) ALBS1PR1KMT2AALDH1A1MAPT
SCHEMBL16607426 0.81 ALB (0.46) ALBS1PR1KMT2AALDH1A1MAPT
SCHEMBL26054761 0.79 ALB (0.39) ALBKMT2AALDH1A1MAPTMEN1
SCHEMBL6547642 0.77 ALB (0.48) ALBS1PR1KMT2AALDH1A1MAPT
SCHEMBL8008825 0.76 ALB (0.43) ALBKMT2AALDH1A1MAPTMEN1
SCHEMBL8009363 0.75 ALB (0.38) ALBKMT2AALDH1A1MAPTMEN1
SCHEMBL24743763 0.75 FOLH1 (0.52) KMT2AMAPTMEN1REV1HRH3
SCHEMBL19730927 0.75 FOLH1 (0.52) KMT2AMAPTMEN1REV1HRH3
SCHEMBL21953267 0.75 FOLH1 (0.52) KMT2AMAPTMEN1REV1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 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 (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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 ALB 1260/4885S1PR1 3079/4885KMT2A 1702/4885

“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.