SCHEMBL2750673

SCHEMBL2750673

N#Cc1ccc(-c2cn[c]s2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
THRB P10828 1/20 0.40
CYP11B2 P19099 10/20 0.33
CYP11B1 P15538 9/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
XDH P47989 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
SCHEMBL17821210 0.77 CYP11B2 (0.41) ALDH1A1CYP11B2
Cyanide SCHEMBL16432238 0.75 CYP11B2 (0.39) CYP11B2CYP19A1
SCHEMBL2752561 0.74 CHUK (0.31) CYP11B2CYP11B1
SCHEMBL2752848 0.74 GRM5 (0.33)
Methyl Alcohol SCHEMBL16432506 0.73 CYP11B2 (0.41) ALDH1A1CYP11B2
SCHEMBL2752769 0.72 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL2753886 0.72 HTT (0.35) ALDH1A1KDM4EHTT
SCHEMBL16277098 0.71 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL2751757 0.70 PDE4A (0.43) ALDH1A1LMNAKDM4EHTTHPGD
SCHEMBL2750961 0.70 CYP19A1 (0.49) ALDH1A1HPGDNPSR1CYP19A1SMN1; SMN2

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-101541764-A Pyrimidylmethyl-sulfonamide compounds useful as fungicides and against arthropods BASF SE (DE) 2009-09-23 CN disclosed
CN-101541762-A Pyridazin-4-ylmethyl-sulfonamide compounds 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 ALDH1A1 1588/4885LMNA 4514/4885KDM4E 1607/4885
US-20100077512-A1 Pyridazin-4-ylmethyl-sulfonamides used as Fungicides and Against Arthropods PIR, PRDX4, PRDX2 ALDH1A1 2607/4885LMNA 3316/4885KDM4E 242/4885

“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.