SCHEMBL25846288

SCHEMBL25846288

COc1cc(CC(C)(C#N)N(C)Cl)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAOB P27338 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
ERN1 O75460 2/20 0.34
TUBB1 Q9H4B7 1/20 0.34
SLC16A3 O15427 3/20 0.33
SLC16A1 P53985 3/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL25846300 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAMAPTMAOB
SCHEMBL15156651 0.72 LMNA (0.63) ALDH1A1L3MBTL1LMNAMAPTMAOB
SCHEMBL28783867 0.72 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL14502124 0.71 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL465084 0.70 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL9714792 0.70 ALDH1A1 (0.59) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL15156353 0.69 ALDH1A1 (0.67) ALDH1A1L3MBTL1LMNAMAPTMAOB
SCHEMBL14327024 0.69 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL14447279 0.69 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNAMAPTKDM4E
SCHEMBL8126037 0.69 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAMAPTKDM4E

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-11702383-B2 Methods for producing D-α-methyldopa IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2023-07-18 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-11702383-B2 Methods for producing D-α-methyldopa AMPD2, AMPD3, AMPD1 ALDH1A1 371/4885L3MBTL1 1427/4885LMNA 3247/4885

“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.