SCHEMBL4631247

SCHEMBL4631247

CC(C)(C)C#Cc1ccc(-c2ccccc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 2/20 0.48
BACE1 P56817 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
S1PR1 P21453 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
PTGES2 Q9H7Z7 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL5639725 0.80 CYP1A2 (0.59) ALDH1A1HSD17B10L3MBTL1S1PR1CYP1A2
SCHEMBL4630816 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1S1PR1CYP1A2
SCHEMBL4631244 0.76 BCAT2 (0.56) ALDH1A1HSD17B10MAPTKDM4ENPC1
SCHEMBL4360317 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10L3MBTL1S1PR1CYP1A2
SCHEMBL4631250 0.76 ALDH1A1 (0.48) ALDH1A1HSD17B10L3MBTL1CYP1A2CYP1A1
SCHEMBL4954449 0.74 HRH3 (0.47) CYP1A2CYP1A1CYP1B1PTGES2MAPT
SCHEMBL6480845 0.74 ALDH1A1 (0.83) ALDH1A1HSD17B10L3MBTL1KDM4ENPC1
SCHEMBL20717544 0.73 APP (0.59) ALDH1A1BACE1PTGES2MAPTNPC1
SCHEMBL562815 0.72 APP (0.55) ALDH1A1HSD17B10CYP1A2CYP1A1CYP1B1
SCHEMBL31264295 0.72 ALDH1A1 (0.79) ALDH1A1HSD17B10L3MBTL1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575922-B1 BIPHENYL DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-05-14 EP claimed
US-7241721-B2 carboxamide derivatives as active ingredients which have microbiocidal activity, in particular fungicidal activity SYNGENTA CROP PROTECTION, INC. (US) 2007-07-10 US claimed
US-20080076664-A1 Fungicidal Compositions SYNGENTA CROP PROTECTION, INC. 2008-03-27 US 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-20080076664-A1 Fungicidal Compositions AKR7A2, CYP51A1, TUBA3C ALDH1A1 1173/4885HSD17B10 394/4885BACE1 424/4885

“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.