SCHEMBL30708643

SCHEMBL30708643

NCc1ccc(N/C(=C2\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.47
BACE1 P56817 2/20 0.43
AKT2 P31751 3/20 0.40
PLG P00747 3/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
HDAC1 Q13547 1/20 0.37
CASP3 P42574 3/20 0.37
KLK1 P06870 2/20 0.37
KLK6 Q92876 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ROCK2 O75116 1/20 0.36
PDPK1 O15530 1/20 0.36
NTRK1 P04629 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL2572859 0.94 PLAU (0.43) PLAUBACE1AKT2PLGPLAT
Trifluoroacetic Acid SCHEMBL2572861 0.94 PLAU (0.43) PLAUBACE1AKT2PLGPLAT
SCHEMBL30708652 0.92 CFD (0.40) PLAUBACE1AKT2MEN1KMT2A
SCHEMBL3157774 0.90 PLAU (0.46) PLAUBACE1AKT2CASP3MEN1
SCHEMBL3157766 0.90 PLAU (0.46) PLAUBACE1AKT2CASP3MEN1
SCHEMBL2571726 0.90 LOXL2 (0.46) PLAUBACE1PLATKLKB1MEN1
SCHEMBL2571723 0.90 LOXL2 (0.46) PLAUBACE1PLATKLKB1MEN1
SCHEMBL30708636 0.90 BACE1 (0.41) PLAUBACE1CASP3ROCK2RXFP1
SCHEMBL2570438 0.89 BACE1 (0.46) PLAUBACE1AKT2CASP3MEN1
SCHEMBL2570441 0.89 BACE1 (0.46) PLAUBACE1AKT2CASP3MEN1

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 PLAU 1160/4885BACE1 3038/4885AKT2 3227/4885

“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.