SCHEMBL23788958

SCHEMBL23788958

CCCCCCC(C)(CCCC)c1csc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NOS1 P29475 1/20 0.35
RECQL P46063 1/20 0.33
PLA2G4A P47712 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL22858647 0.83 PLA2G4A (0.36) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL19646306 0.83 PLA2G4A (0.36) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL23583870 0.81 PLA2G4A (0.37) TSHRHPGDHTTALDH1A1MAPT
SCHEMBL21884187 0.79 ALDH1A1 (0.32) ALDH1A1PLA2G4A
SCHEMBL20927061 0.78 PLA2G4A (0.31) PLA2G4A
SCHEMBL18737542 0.78 PLA2G4A (0.31) PLA2G4A
SCHEMBL24486553 0.76 PLA2G4A (0.31) PLA2G4A
SCHEMBL19558827 0.75 SMPD1 (0.32) PLA2G4A
SCHEMBL21720343 0.74 ALDH1A1 (0.33) TSHRHPGDHTTALDH1A1RAB9A
SCHEMBL21720602 0.74

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-20210277023-A1 ANTIBIOTIC CONJUGATES UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-09-09 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-20210277023-A1 ANTIBIOTIC CONJUGATES DDOST, STT3B, DAD1 TSHR 3335/4885HPGD 2099/4885HTT 4609/4885

“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.