SCHEMBL4955401

SCHEMBL4955401

CCC(Oc1ccc2ncccc2c1)C(=O)NC(C)(C)C#CCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLK1 P53350 1/20 0.35

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
SCHEMBL4953919 0.93 ALDH1A1 (0.43) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL4951768 0.90 ALDH1A1 (0.44) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL4951418 0.89 ALDH1A1 (0.46) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL4948995 0.89 ALDH1A1 (0.40) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL14859509 0.85 PDE10A (0.35) ALDH1A1SMN1; SMN2LMNAKDM4EADORA3
SCHEMBL4951376 0.83 ALDH1A1 (0.45) ALDH1A1ALOX15HTTSMN1; SMN2RAB9A
SCHEMBL4954177 0.81 ALDH1A1 (0.39) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL6175940 0.81 ALDH1A1 (0.44) ALDH1A1ALOX15HTTSMN1; SMN2LMNA
SCHEMBL4953065 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4954671 0.77 ALDH1A1 (0.55) ALDH1A1ALOX15HTTSMN1; SMN2LMNA

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-7371764-B2 Quinolin-isoquinolin-and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2008-05-13 US disclosed
EP-1567010-B1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LTD (GB) 2007-10-24 EP disclosed
US-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2007-03-29 US disclosed
US-7122672-B2 Quinolin-, isoquinolin-, and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-10-17 US disclosed
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides SYNGENTA LIMITED (GB) 2006-01-26 US disclosed
EP-1567010-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES Syngenta Limited (GB) 2005-08-31 EP disclosed
WO-2004047538-A1 QUINOLIN-, ISOQUINOLIN-, AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-06-10 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-20070072884-A1 QUINOLIN-ISOQUINOLIN-AND QUINAZOLIN-OXYALKYLAMIDES AND THEIR USE AS FUNGICIDES CBR3, CBR1, POR ALDH1A1 2830/4885ALOX15 2951/4885HTT 3157/4885
US-20060019973-A1 Quinolin-,isoquinolin-,and quinazolin-oxyalkylamides and their use as fungicides CYP4X1, CYP51A1, CYP1A2 ALDH1A1 896/4885ALOX15 2660/4885HTT 2657/4885

“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.