SCHEMBL2752020

SCHEMBL2752020

N#Cc1cccc(-c2c[c]ccc2)c1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
HIF1A Q16665 1/20 0.39
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP19A1 P11511 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
TSHR P16473 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2184053 0.84 ESR2 (0.52) ESR2ALDH1A1KDM4ECYP19A1GABRG2
SCHEMBL820505 0.83 ESR2 (0.48) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
SCHEMBL2753256 0.80 ESR2 (0.43) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
SCHEMBL30359283 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
SCHEMBL769515 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
SCHEMBL2749473 0.78 KDM4E (0.40) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
Methane SCHEMBL28932814 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
SCHEMBL11132592 0.77 ESR2 (0.43) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
SCHEMBL30513178 0.77 ESR2 (0.52) SMN1; SMN2HIF1AESR2ALDH1A1KDM4E
SCHEMBL2752011 0.76 SMN1; SMN2 (0.36) SMN1; SMN2HIF1AESR2ALDH1A1CYP19A1

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 6 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
CN-101541762-A Pyridazin-4-ylmethyl-sulfonamide compounds as fungicides and against arthropods BASF SE (DE) 2009-09-23 CN disclosed
CN-101541764-A Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE (DE) 2009-09-23 CN 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 768/4885HIF1A 4066/4885ESR2 4708/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 SMN1; SMN2 824/4885HIF1A 4716/4885ESR2 4385/4885

“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.