SCHEMBL24198697

SCHEMBL24198697

CC(C)(C)C(=O)c1ncccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NFE2L2 Q16236 2/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
TRPA1 O75762 1/20 0.39
GAA P10253 1/20 0.38
NPC1 O15118 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
SCHEMBL24198777 0.83 TDP1 (0.42) ALDH1A1HTTKDM4EL3MBTL1CYP3A4
SCHEMBL24198699 0.80 TDP1 (0.40) SMN1; SMN2ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL10001158 0.79 EGLN2 (0.47) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL365395 0.79 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1HTTKDM4EL3MBTL1
SCHEMBL4445637 0.78 GRM4 (0.43) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL15113253 0.78 MAPT (0.40) ALDH1A1HTTKDM4EL3MBTL1CYP3A4
SCHEMBL2414354 0.77 POLB (0.44) ALDH1A1L3MBTL1LMNATRPV1TRPA1
SCHEMBL6415070 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HTTTSHRTRPV1
SCHEMBL17448840 0.76 KDM4E (0.39) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT
SCHEMBL13379449 0.76 KDM4E (0.46) ALDH1A1KDM4EL3MBTL1CYP3A4MAPT

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-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD SMN1; SMN2 4738/4885ALDH1A1 4859/4885HTT 4192/4885

“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.