SCHEMBL2754366

SCHEMBL2754366

N#Cc1ccc(-c2n[c]cs2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 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
XDH P47989 2/20 0.34
HPGD P15428 2/20 0.33
CYP19A1 P11511 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
CHRM1 P11229 1/20 0.32
PDE4A P27815 1/20 0.32
BLVRB P30043 1/20 0.32
TARBP2 Q15633 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ABCG2 Q9UNQ0 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
SCHEMBL20582838 0.77 GAA (0.41) ALDH1A1CYP19A1MAOBMAOACYP11B2
SCHEMBL2751296 0.74 CYP19A1 (0.30) CYP19A1
SCHEMBL2752239 0.74 HRH3 (0.33)
SCHEMBL2752119 0.72 KDM4E (0.33) ALDH1A1KDM4EHTT
SCHEMBL2752628 0.71 STS (0.37) CYP19A1CYP11B1CYP11B2
SCHEMBL16277098 0.71 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL2092347 0.70 AHR (0.46) ALDH1A1KDM4EABL1
SCHEMBL679545 0.70 NOTUM (0.37) ALDH1A1LMNAMAPK1
SCHEMBL2753107 0.70 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EHTTRXFP1
SCHEMBL2753096 0.70 CYP19A1 (0.46) ALDH1A1HPGDCYP19A1SMN1; SMN2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2066643-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-10 EP disclosed
EP-2064190-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008062011-A1 PYRIMIDYLMETHYL-SULFONAMIDE COMPOUNDS USEFUL AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO disclosed
WO-2008062012-A1 PYRIDAZIN-4-YLMETHYL-SULFONAMIDES USED AS FUNGICIDES AND AGAINST ARTHROPODS BASF SE (DE) 2008-05-29 WO 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.