SCHEMBL919712

SCHEMBL919712

CCCCOc1nc[c]s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 3/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 3/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CYP19A1 P11511 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
ALOX15 P16050 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
SCHEMBL921808 0.69
SCHEMBL9869101 0.67 CYP1A2 (0.37) RAB9ACYP2D6CYP3A4NPC1HSD17B10
SCHEMBL4911969 0.65 L3MBTL1 (0.49) CYP2D6CYP3A4CYP1A2CYP19A1CYP2C9
SCHEMBL11727219 0.64 LTA4H (0.41) RAB9ACYP2D6CYP3A4NPC1CYP1A2
SCHEMBL11555746 0.63 RAB9A (0.57) RAB9ANPC1HSD17B10SMN1; SMN2KDM4E
SCHEMBL30605677 0.62 LTA4H (0.46) RAB9AGAACYP2D6CYP3A4CYP1A2
SCHEMBL10692851 0.62 LTA4H (0.46) RAB9AGAACYP2D6CYP3A4CYP1A2
SCHEMBL598441 0.61 CYP2D6 (0.43) RAB9ACYP2D6CYP3A4NPC1HSD17B10
SCHEMBL4911958 0.60 CYP3A4 (0.39) RAB9AGAACYP2D6CYP3A4NPC1
SCHEMBL26850 0.60 LTA4H (0.70) RAB9AGAACYP2D6CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201649-A1 AGRICULTURAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-18 US disclosed
EP-2345328-A1 COMPOSITION FOR AGRICULTURAL USE Sumitomo Chemical Company, Limited (JP) 2011-07-20 EP disclosed
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-13 US disclosed
EP-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 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 (3 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX RAB9A 584/4885GAA 920/4885CYP2D6 4356/4885
US-20110009454-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS WIZ, TST, NAT1 RAB9A 1125/4885GAA 3332/4885CYP2D6 4104/4885
US-20110201649-A1 AGRICULTURAL COMPOSITION H1-0, H1-3, H1-2 RAB9A 164/4885GAA 2649/4885CYP2D6 3619/4885

“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.