SCHEMBL4077290

SCHEMBL4077290

CC(C)(C)C#Cc1ccc(-c2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
HSD17B10 Q99714 1/20 0.37
PTPN1 P18031 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
S100A4 P26447 2/20 0.35
HPGD P15428 1/20 0.35
PTPRC P08575 1/20 0.35
F2RL3 Q96RI0 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL12288740 0.78 ALDH1A1 (0.59) ALDH1A1TDP1MGAMGAASI
SCHEMBL12365094 0.78 HPGD (0.44) PTPN1HPGDL3MBTL1
SCHEMBL4083053 0.77 BACE1 (0.39) ALDH1A1TDP1GAAHSD17B10MEN1
SCHEMBL15957593 0.75 L3MBTL1 (0.42) ALDH1A1KMT2AL3MBTL1
SCHEMBL27632765 0.74 TDP1 (0.50) ALDH1A1TDP1MGAMGAASI
SCHEMBL4209889 0.72 ALDH1A1 (0.57) ALDH1A1TDP1MGAMGAASI
SCHEMBL4074282 0.71 ALDH1A1 (0.50) ALDH1A1TDP1MGAMGAASI
SCHEMBL13597747 0.71 HSD17B10 (0.47) ALDH1A1TDP1HSD17B10MEN1KMT2A
SCHEMBL30535903 0.67 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI
SCHEMBL1287837 0.67 ALDH1A1 (0.74) ALDH1A1TDP1MGAMGAASI

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
US-7553798-B2 Heterocyclic carboxamides with microbiocidal activity SYNGENTA CROP PROTECTION, INC. (US) 2009-06-30 US disclosed
US-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity SYNGENTA CROP PROTECTION, INC. (US) 2008-06-05 US disclosed
EP-1758894-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY Syngeta Participations AG (CH) 2007-03-07 EP disclosed
WO-2005123722-A1 HETEROCYCLIC CARBOXAMIDES WITH MICROBIOCIDAL ACTIVITY SYNGENTA PARTICIPATIONS AG (CH) 2005-12-29 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 (1 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-20080132557-A1 Heterocyclic Carboxamides with Microbiocidal Activity MPO, FPR1, CD14 ALDH1A1 547/4885TDP1 2558/4885MGAM 431/4885

“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.