SCHEMBL23964325

SCHEMBL23964325

CC(=C(C#N)C#N)c1ccc(C(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MAPT P10636 9/20 0.50
RAB9A P51151 6/20 0.50
MAPK1 P28482 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 7/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 4/20 0.49
HPGD P15428 3/20 0.49
GFER P55789 1/20 0.46
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
ESR1 P03372 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
KCNK3 O14649 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 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
SCHEMBL9772956 0.88 MAPT (0.50) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL18972851 0.82 ESR1 (0.65) ESR1
SCHEMBL24851242 0.81 RAB9A (0.69) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL178769 0.81 ALDH1A1 (0.48) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL28608248 0.81 ESR1 (0.44) ALDH1A1MAPTRAB9AKMT2AMEN1
SCHEMBL17208791 0.78 CYP19A1 (0.50) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL17208809 0.76 ALDH1A1 (0.73) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL18972426 0.75 CYP19A1 (0.47) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL28260942 0.74 SMN1; SMN2 (0.50) ALDH1A1MAPTRAB9AL3MBTL1KMT2A
SCHEMBL28612890 0.74 MAPT (0.39) ALDH1A1MAPTRAB9AMAPK1L3MBTL1

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-20230181744-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES FUDAN UNIVERSITY (CN) 2023-06-15 US disclosed
WO-2021213518-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES 复旦大学 (CN) 2021-10-28 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 (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-20230181744-A1 COMPOUND FOR PREVENTING OR TREATING LIPID METABOLISM-RELATED DISEASES MAP1LC3B, MAP1LC3A, SQSTM1 ALDH1A1 897/4885MAPT 15/4885RAB9A 803/4885

“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.