SCHEMBL23997342

SCHEMBL23997342

COc1ccccc1CNc1c(C)cccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
ALDH1A1 P00352 7/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 4/20 0.50
HPGD P15428 2/20 0.50
RCE1 Q9Y256 1/20 0.50
SCN8A Q9UQD0 1/20 0.49
CHRM2 P08172 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 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
SCHEMBL30336962 1.00 GAA (0.52) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL7203333 0.81 ALDH1A1 (0.38) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL5626734 0.78 L3MBTL1 (0.67) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL23997373 0.77 ALDH1A1 (0.61) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL30345153 0.77 ALDH1A1 (0.61) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL3198039 0.74 ALDH1A1 (0.65) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL6740071 0.73 CASP1 (0.36) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL6742538 0.72 GAA (0.41) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL2979268 0.72 HIF1A (0.62) GAAALDH1A1MAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL2987335 0.71 HIF1A (0.61) GAAALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 WO 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 GAA 1407/4885ALDH1A1 471/4885MAPT 3407/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 GAA 1407/4885ALDH1A1 471/4885MAPT 3407/4885

“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.