SCHEMBL30708653

SCHEMBL30708653

C/C(Nc1ccc(CN(C)Cc2ccccc2)cc1)=C1/C(=O)Nc2cc(C(N)=O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.46
BCHE P06276 7/20 0.46
ROCK2 O75116 2/20 0.42
NAMPT P43490 1/20 0.42
HDAC1 Q13547 1/20 0.41
BACE1 P56817 1/20 0.40

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
SCHEMBL480408 1.00 ACHE (0.46) ACHEBCHEROCK2NAMPTHDAC1
SCHEMBL480409 1.00 ACHE (0.46) ACHEBCHEROCK2NAMPTHDAC1
Trifluoroacetic Acid SCHEMBL2573135 0.95 ACHE (0.41) ACHEBCHEROCK2NAMPTHDAC1
Trifluoroacetic Acid SCHEMBL2573132 0.95 ACHE (0.41) ACHEBCHEROCK2NAMPTHDAC1
SCHEMBL3141916 0.94 HDAC1 (0.45) ACHEBCHEROCK2HDAC1BACE1
SCHEMBL3141912 0.94 HDAC1 (0.45) ACHEBCHEROCK2HDAC1BACE1
SCHEMBL2572606 0.92 MEN1 (0.39) ACHEBCHEROCK2BACE1
SCHEMBL2572610 0.92 MEN1 (0.39) ACHEBCHEROCK2BACE1
SCHEMBL2121554 0.91 ROCK2 (0.38) ACHEBCHEROCK2BACE1
SCHEMBL480568 0.91 LSS (0.40) ROCK2

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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 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-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 ACHE 2390/4885BCHE 3302/4885ROCK2 1271/4885

“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.