SCHEMBL30708652

SCHEMBL30708652

NCc1cccc(N/C(=C2\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.40
AKT2 P31751 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PLAU P00749 1/20 0.38
PARP1 P09874 4/20 0.38
PARP15 Q460N3 3/20 0.38
PARP10 Q53GL7 3/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
PARP14 Q460N5 2/20 0.37
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
PPIA P62937 1/20 0.37
F3 P13726 1/20 0.37
BACE1 P56817 1/20 0.37

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 SCHEMBL2567046 0.94 TPSAB1 (0.38) CFDAKT2MEN1KMT2APLAU
Trifluoroacetic Acid SCHEMBL2567048 0.94 TPSAB1 (0.38) CFDAKT2MEN1KMT2APLAU
SCHEMBL2571324 0.92 NPC1 (0.41) AKT2MEN1KMT2APLAUPARP1
SCHEMBL2571321 0.92 NPC1 (0.41) AKT2MEN1KMT2APLAUPARP1
SCHEMBL30708643 0.92 PLAU (0.47) AKT2MEN1KMT2APLAUBACE1
SCHEMBL30708638 0.90 KMT2A (0.37) MEN1KMT2APARP1PARP15PARP10
SCHEMBL30708629 0.89 ROCK2 (0.38) MEN1KMT2APARP1PARP15PARP10
SCHEMBL16685264 0.88 ROCK2 (0.46) MEN1KMT2APARP1PARP15PARP10
SCHEMBL16685268 0.88 ROCK2 (0.46) MEN1KMT2APARP1PARP15PARP10
SCHEMBL16685266 0.88 ROCK2 (0.46) MEN1KMT2APARP1PARP15PARP10

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 CFD 3232/4885AKT2 3227/4885MEN1 2707/4885

“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.