SCHEMBL3139434

SCHEMBL3139434

CCCNCc1cc(F)c(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ DPP4 P27487 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MPO P05164 4/20 0.34
▸ BACE1 P56817 4/20 0.34
▸ BACE2 Q9Y5Z0 3/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL18235895 0.86 MAOA (0.36) USP28MAOAMAOBDPP4KMT2A
SCHEMBL10045212 0.81 USP28 (0.40) USP28SLC6A4MPOBACE1BACE2
SCHEMBL4630473 0.79 ACHE (0.48) MAOAMAOBSMN1; SMN2MPO
SCHEMBL21171674 0.77 SLC6A4 (0.47) MAOAMAOBKMT2AMEN1SMN1; SMN2
SCHEMBL19102996 0.76 SMN1; SMN2 (0.41) KMT2AMEN1SMN1; SMN2SLC6A4MPO
SCHEMBL13535945 0.76 USP28 (0.44) USP28MAOAMAOBKMT2AMEN1
SCHEMBL21674321 0.73 MPO (0.59) KMT2AMEN1SMN1; SMN2SLC6A4MPO
SCHEMBL19954239 0.73 ADRB2 (0.51) KMT2AMEN1SMN1; SMN2
SCHEMBL7142605 0.73 S1PR1 (0.40) USP28KMT2A
SCHEMBL24709706 0.73 DPP4 (0.42) USP28DPP4

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-20100076024-A1 Novel Compounds as Serine Protease Inhibitors ZIMMERMANN KASPAR 2010-03-25 — — 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-20100076024-A1 Novel Compounds as Serine Protease Inhibitors PRSS1, SERPINB1, SPINT2 USP28 827/4885MAOA 1790/4885MAOB 1747/4885

“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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