SCHEMBL2753376

SCHEMBL2753376

N#Cc1ccc(On2cc[c]n2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
MAOA P21397 3/20 0.39
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
PDE4B Q07343 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
NSD2 O96028 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
AR P10275 2/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30

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
SCHEMBL2750712 0.79 LRRK2 (0.34) ALDH1A1FNTAFNTBPGGT1B
SCHEMBL2750807 0.77 FNTA (0.33) FNTAFNTBPGGT1B
SCHEMBL2751820 0.76 KCNH2 (0.30)
SCHEMBL2749911 0.75 CYP19A1 (0.41) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL2750817 0.75 KDM4E (0.34) ALDH1A1
SCHEMBL2750478 0.74 SOS1 (0.33) MAOB
SCHEMBL2753134 0.73
SCHEMBL2752890 0.72 MAOB (0.40) MAOBMAOACYP19A1ALDH1A1HPGD
SCHEMBL2753507 0.71 SMN1; SMN2 (0.35) MAOBMAOAALDH1A1ARLMNA
SCHEMBL2753937 0.70 ALDH1A1 (0.42) MAOBMAOAALDH1A1HPGDAR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541764-B Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE 2012-10-10 CN disclosed
US-8178540-B2 Pyrimidylmethyl-sulfonamide compounds BASF SE (DE) 2012-05-15 US disclosed
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods BASF SE (DE) 2010-03-25 US disclosed
US-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-03-18 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 (2 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-20100069243-A1 Pyrimidylmethyl-Sulfonamide Compounds TPMT, NISCH, PPA1 MAOB 1130/4885MAOA 806/4885CYP19A1 2417/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 MAOB 2151/4885MAOA 1269/4885CYP19A1 2023/4885

“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.