SCHEMBL2754352

SCHEMBL2754352

COc1cccc(Oc2c[c]ccn2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL2752366 0.91 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPTKDM4EHSD17B10
SCHEMBL2751860 0.77 SMN1; SMN2 (0.41) SMN1; SMN2TSHRMAPTKDM4EHSD17B10
SCHEMBL2752089 0.76 CA12 (0.50) MAPTL3MBTL1CA12CA1CA2
SCHEMBL8129781 0.75 MAP4K4 (0.44) KDM4EMEN1KMT2A
SCHEMBL2751085 0.75 CA12 (0.53) SMN1; SMN2MAPTL3MBTL1CA12CA1
SCHEMBL2753983 0.74 PDGFRB (0.49) SMN1; SMN2MAPTL3MBTL1CA12CA1
SCHEMBL2752776 0.74 TRPA1 (0.39) KDM4EMEN1KMT2A
SCHEMBL8125135 0.74 ALDH1A1 (0.41) SMN1; SMN2TSHRMAPTKDM4EMEN1
SCHEMBL2094133 0.73 MAPK1 (0.40) SMN1; SMN2MAPTL3MBTL1CA12CA1
SCHEMBL8124774 0.73 P2RX3 (0.43) SMN1; SMN2KDM4EL3MBTL1MEN1KMT2A

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 SMN1; SMN2 768/4885TSHR 4024/4885MAPT 3912/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 SMN1; SMN2 824/4885TSHR 3106/4885MAPT 3435/4885

“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.