SCHEMBL22504118

SCHEMBL22504118

C/C=C(/CC(N)=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CES2 O00748 2/20 0.43
▸ CES1 P23141 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ GSK3B P49841 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL2491983 0.76 L3MBTL1 (0.63) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL10594702 0.74 KMT2A (0.44) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL10597310 0.74 KMT2A (0.44) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL29473459 0.73 MAOB (0.58) LMNAALDH1A1MAPTKDM4EL3MBTL1
1,4-Dichlorobenzene SCHEMBL27647226 0.71 NPC1 (0.52) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL11056976 0.70 KMT2A (0.60) LMNAALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL10594708 0.70 POLB (0.48) ALDH1A1MAPTCYP2C9CYP2C19CES2
SCHEMBL10594697 0.70 POLB (0.48) ALDH1A1MAPTCYP2C9CYP2C19CES2
SCHEMBL12649675 0.69 LMNA (0.50) LMNAALDH1A1MAPTKDM4EL3MBTL1
Alcohol SCHEMBL28344760 0.68 MAP4K4 (0.53) LMNAALDH1A1MAPTKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 — — US disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 — — 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 (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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 LMNA 1000/4885ALDH1A1 1158/4885MAPT 15/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA LMNA 680/4885ALDH1A1 1386/4885MAPT 23/4885

“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.

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