SCHEMBL4083053

SCHEMBL4083053

CC(C)(C)C#Cc1ccc(-c2ccccc2N)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.39
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
PTPN11 Q06124 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
SCHEMBL12365094 0.83 HPGD (0.44) BACE1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL15957593 0.79 L3MBTL1 (0.42) ALDH1A1L3MBTL1SMN1; SMN2RAB9AKMT2A
SCHEMBL397364 0.75 ALDH1A1 (0.43) BACE1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL25094681 0.73 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL16600088 0.71 ALDH1A1 (0.57) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL4631247 0.69 ALDH1A1 (0.48) BACE1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL11896137 0.69 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1
SCHEMBL1258715 0.66 CYP3A4 (0.52) BACE1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL29383293 0.66 CYP3A4 (0.52) BACE1ALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL22300052 0.65 ALDH1A1 (0.48) ALDH1A1L3MBTL1KDM4ESMN1; SMN2TDP1

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 BACE1 2081/4885ALDH1A1 547/4885L3MBTL1 2825/4885

“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.